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Information card for entry 4112339
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Coordinates | 4112339.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (E)-stilbene |
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Chemical name | (E)-1,2-diphenylethene |
Formula | C14 H12 |
Calculated formula | C14 H12 |
Title of publication | X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals |
Authors of publication | Jun Harada; Keiichiro Ogawa |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 3539 - 3544 |
a | 12.3513 ± 0.0005 Å |
b | 5.7088 ± 0.0002 Å |
c | 15.6453 ± 0.0006 Å |
α | 90° |
β | 111.935 ± 0.001° |
γ | 90° |
Cell volume | 1023.31 ± 0.07 Å3 |
Cell temperature | 250 K |
Ambient diffraction temperature | 250 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0485 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1202 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112339.html
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Users of the data should acknowledge the original authors of the
structural data.