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Information card for entry 8106330
Preview
| Coordinates | 8106330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H31 N5 O7 |
|---|---|
| Calculated formula | C26 H31 N5 O7 |
| Title of publication | Crystal structure of ethyl-5-formyl-3,4-dimethylpyrrole-2-carboxylate — N-(5-ethoxycarbonyl-3,4-dimethylpyrrole)-2-methylene-5-nitrobenzene-1,2-diamine (1:1), C26H31N5O7 |
| Authors of publication | Lu, Zhongliang; Wei, Zhen; Wu, Wei-Na |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 879 - 880 |
| a | 7.0353 ± 0.0005 Å |
| b | 15.1943 ± 0.0008 Å |
| c | 24.8536 ± 0.0013 Å |
| α | 90° |
| β | 92.314 ± 0.004° |
| γ | 90° |
| Cell volume | 2654.6 ± 0.3 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 | 0.0835 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279722 (current) | 2022-12-06 | cif/ Adding structures of 8106330 via cif-deposit CGI script. |
8106330.cif |
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Users of the data should acknowledge the original authors of the
structural data.