CCDC 978726: Experimental Crystal Structure Determination
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An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.Keywords:
Crystal (programming language)
When a sound beam is incident onto a periodically corrugated surface, diffraction of the incident sound will be generated. The major diffraction phenomenon, which can be well explained by the classical grating equation, can be easily observed and has been intensively studied. In this work, we report an observation of diffracted waves whose intensity is much weaker than the major diffraction, and who are not expected to appear in the diffraction field. This secondary diffraction can be experimentally observed in the general diffraction configuration as well as in the Bragg diffraction configuration. The analysis of the direction and frequency of the diffracted waves based on the classical grating equation suggests that this diffraction is originated from a propagating wave along the corrugated surface. Such a propagating wave is possibly the experimental evidence of the existence of surface acoustic wave on corrugated interface generated by diffraction.
Diffraction topography
Diffraction efficiency
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To analyze the diffraction of high frequency waves one turns often to the geometrical theory of diffraction (GTD) whose aim is to describe this phenomenon in terms of certain factors. These factors involve, among the others, several diffraction coefficients showing the modifications to be considered when a ray is transformed into another one at a diffraction point. The aim of this paper is to analyze the diffraction of creeping waves generated on a perfectly conducting spherical reflector, and thereby to obtain explicit expressions for certain coefficients related to the diffractions occurring at the edges of spherically curved reflectors. The analysis is performed by using an integral transform technique recently developed by one of the authors. Various ray contributions are isolated, and fairly simple nonuniform expressions for the diffraction coefficients are obtained.
Reflector (photography)
Spherical wave
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Orthorhombic crystal system
Organometallic Chemistry
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The title compound, C 18 H 17 ClN 2 O, crystallized with two independent molecules (the S and R enantiomers) in the asymmetric unit. The molecules are V-shaped with the two aromatic rings inclined to one another by 78.78 (11) and 81.23 (11)°. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming chains along the c -axis direction. The chains are linked via C—H...π interactions, forming a three-dimensional framework. The crystal structure was refined as a two-component twin.
Crystal (programming language)
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Intensity
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It is shown that the Fraunhofer approximation, used in the kinematical theory of X-ray diffraction, may fail for a wide variety of crystals with different perfection. The kinematical theory describing the diffraction pattern in the general case is developed. The case of spherical-wave diffraction by a plane parallel crystal is considered in detail. The intensity distribution and the diffraction line width are ascertained to be essentially dependent on the region of diffraction in which the observation plane is located. On the other hand, the diffraction pattern geometry is independent of the diffraction region and is determined only by the crystal structure and the optics of diffraction. The geometry of the diffraction pattern recorded by the divergent-beam method is analysed in detail.
Diffraction topography
Crystal (programming language)
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To analyse the diffraction of high frequency waves one recourses often to the Geometrical Theory of Diffraction whose aim is to describe this phenomenon in terms of rays and certain factors. These latters involve several diffraction coefficients showing the modifications which occur when a ray is transformed into another one at a diffraction point. The aim of this paper is to give explicit expressions for certain coefficients related to diffractions occuring at the edges of cylindrically curved reflectors. On account of the locality of high-frequency diffraction phenomenon, all the coefficients given here can also be used, with some precautions, to calculate diffracted fields even when the reflector is not cylindrical.
Reflector (photography)
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The crystal structure of dichlorodiaquabis-(p-dimethylaminobenzaldehyde)manganese(II), [MnCl2(OH2)2(C9H11NO)2], was determined from X-ray intensity data. The structure consists of the isolated molecules of the complex. The central Mn atom in the complex is coordinated by txo p-dimethylaminobenzaldehyde and two water molecules and also two chlorine atoms, resulting in a distorted octahedral environment. The same molecules or ions occupy {\it trans} positions. The crystal structure is stabilized by weak hydrogen bonds present between the isolated molecules.
Crystal (programming language)
Chlorine atom
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X-ray-diffraction microscopy images nanocrystals and nonperiodic objects by directly reconstructing from oversampled diffraction intensities. Successful image reconstruction of nonperiodic objects has so far required additional experiments to supplement the missing data in the diffraction intensities. Reconstruction only from diffraction data is desirable. We show that image reconstruction of nonperiodic objects can be done without any supplemental experiments by applying a modified hybrid input-output algorithm to experimental hard x-ray-diffraction data of a nanostructured pattern.
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The coupled waves method is used to analyze the diffraction of light by randomly modulated volume transparencies (for example, biological objects). A system of coupled equations is solved by reducing them to integrodifferential equations for the amplitudes of the incident and diffracted waves, which are easily solved in the case of randomly modulated transparencies. It is shown that diffraction attenuates the incident wave exponentially and that the wave vectors of the diffracted waves are concentrated near an Ewald sphere. It is also shown that the Fraunhofer diffraction pattern of a volume transparency is a weighted sum of the diffraction patterns of all cross sections of the transparency.
Ray
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