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Information card for entry 8106714
Preview
| Coordinates | 8106714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 N3 O5 |
|---|---|
| Calculated formula | C17 H21 N3 O5 |
| Title of publication | N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5 |
| Authors of publication | Mao, Pan-Dong; Yan, Ling-Ling; Wu, Wei-Na; Cai, Hong-Xin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 899 - 900 |
| a | 9.2278 ± 0.0016 Å |
| b | 15.093 ± 0.003 Å |
| c | 12.698 ± 0.002 Å |
| α | 90° |
| β | 105.195 ± 0.012° |
| γ | 90° |
| Cell volume | 1706.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280815 (current) | 2023-02-08 | cif/ Adding structures of 8106714 via cif-deposit CGI script. |
8106714.cif |
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Users of the data should acknowledge the original authors of the
structural data.