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Information card for entry 7238195
Preview
Coordinates | 7238195.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H10 Cl N O2 |
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Calculated formula | C14 H10 Cl N O2 |
Title of publication | Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene |
Authors of publication | Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 12 |
Pages of publication | 4101 |
a | 3.9192 ± 0.0001 Å |
b | 12.963 ± 0.0004 Å |
c | 12.2399 ± 0.0004 Å |
α | 90 ± 0.002° |
β | 93.188 ± 0.002° |
γ | 90 ± 0.002° |
Cell volume | 620.88 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 (a,b,c-1/4) |
Hall space group symbol | P 2ybc |
Residual factor for all reflections | 0.0611 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.1222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7238195.html
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structural data.