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Information card for entry 8107070
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Coordinates | 8107070.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H28 N8 |
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Calculated formula | C35.5 H27.9 N8.4 |
Title of publication | Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl, C36H28N8 |
Authors of publication | Wu, Hai-Xia; Zheng, Min; Guo, Jin-Bo |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 3 |
Pages of publication | 981 - 982 |
a | 10.5381 ± 0.001 Å |
b | 11.2172 ± 0.0011 Å |
c | 14.0925 ± 0.0013 Å |
α | 73.912 ± 0.003° |
β | 68.626 ± 0.003° |
γ | 62.739 ± 0.003° |
Cell volume | 1366.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0947 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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282514 (current) | 2023-04-07 | cif/ Adding structures of 8107070 via cif-deposit CGI script. |
8107070.cif |
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Users of the data should acknowledge the original authors of the
structural data.