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Information card for entry 2101892
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Coordinates | 2101892.cif |
---|---|
Original IUCr paper | HTML |
Formula | C14 H14 N2 |
---|---|
Calculated formula | C14 H14 N2 |
SMILES | Cc1cccc(c1)/N=N/c1cccc(c1)C |
Title of publication | Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction |
Authors of publication | Harada, J.; Ogawa, K.; Tomoda, S. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 4 |
Pages of publication | 662 - 672 |
a | 13.819 ± 0.003 Å |
b | 11.805 ± 0.003 Å |
c | 7.501 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1223.6 ± 0.4 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1578 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for all reflections | 0.2385 |
Weighted residual factors for significantly intense reflections | 0.1908 |
Goodness-of-fit parameter for all reflections | 1.015 |
Goodness-of-fit parameter for significantly intense reflections | 1.234 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo_Kα |
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/2101892.html
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Users of the data should acknowledge the original authors of the
structural data.