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Information card for entry 8104932
Preview
| Coordinates | 8104932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 N3 O7 |
|---|---|
| Calculated formula | C31 H29 N3 O7 |
| Title of publication | Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7 |
| Authors of publication | Zhang, Ling; Wu, Wei-Na; Wang, Yuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 239 - 241 |
| a | 13.628 ± 0.0014 Å |
| b | 14.4801 ± 0.0015 Å |
| c | 14.4962 ± 0.0015 Å |
| α | 90° |
| β | 97.586 ± 0.002° |
| γ | 90° |
| Cell volume | 2835.6 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274086 (current) | 2022-03-29 | cif/ Adding structures of 8104932 via cif-deposit CGI script. |
8104932.cif |
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Users of the data should acknowledge the original authors of the
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