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Information card for entry 2108767
Preview
Coordinates | 2108767.cif |
---|---|
Structure factors | 2108767.hkl |
Original paper (by DOI) | HTML |
Formula | C14 H6 N6 O12 |
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Calculated formula | C14 H6 N6 O12 |
Title of publication | The crystal structure and thermal decomposition kinetics of <i>cis</i>-hexanitrostilbene |
Authors of publication | Liu, Yunzhang; Chen, Lizhen; Wang, Jianlong; Chen, Jun; Wang, Jingqi; Pan, Hongxia |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 1 |
a | 21.221 ± 0.0006 Å |
b | 10.308 ± 0.0003 Å |
c | 19.4134 ± 0.0005 Å |
α | 90° |
β | 129.087 ± 0.001° |
γ | 90° |
Cell volume | 3296.17 ± 0.17 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
261293 (current) | 2021-01-28 | cif/ hkl/ Adding structures of 2108767 via cif-deposit CGI script. |
2108767.cif 2108767.hkl |
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Users of the data should acknowledge the original authors of the
structural data.