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Information card for entry 7232998
Preview
Coordinates | 7232998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H23 Cl N16 O15 |
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Calculated formula | C16 H23 Cl N16 O15 |
Title of publication | Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole |
Authors of publication | Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 32 |
Pages of publication | 4701 |
a | 7.0409 ± 0.0014 Å |
b | 10.232 ± 0.002 Å |
c | 19.848 ± 0.004 Å |
α | 87.614 ± 0.005° |
β | 85.009 ± 0.005° |
γ | 82.298 ± 0.005° |
Cell volume | 1411 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1482 |
Residual factor for significantly intense reflections | 0.0823 |
Weighted residual factors for significantly intense reflections | 0.2 |
Weighted residual factors for all reflections included in the refinement | 0.2536 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
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/7232998.html
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Users of the data should acknowledge the original authors of the
structural data.