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Information card for entry 8104933
Preview
Coordinates | 8104933.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H9 N O2 |
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Calculated formula | C14 H9 N O2 |
Title of publication | The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2 |
Authors of publication | Wang, Li-Hua; Zhou, Xiao-Jing; Liu, Li-Li; Zhang, Ai-Ling; Tai, Xi-Shi |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 1 |
Pages of publication | 243 - 244 |
a | 27.19 ± 0.004 Å |
b | 4.3317 ± 0.0006 Å |
c | 17.297 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2037.2 ± 0.5 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0674 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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274087 (current) | 2022-03-29 | cif/ Adding structures of 8104933 via cif-deposit CGI script. |
8104933.cif |
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Users of the data should acknowledge the original authors of the
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