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Information card for entry 8106937
Preview
| Coordinates | 8106937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 N4 O4 |
|---|---|
| Calculated formula | C24 H20 N4 O4 |
| SMILES | N1(C(=O)[C@H]2C3[C@H]4C(=O)N(C(=O)[C@H]4C([C@H]2C1=O)C=C3)Cc1cnccc1)Cc1cccnc1 |
| Title of publication | Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4 |
| Authors of publication | Liu, Zhi-Min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 551 - 552 |
| a | 23.942 ± 0.005 Å |
| b | 12.3661 ± 0.0014 Å |
| c | 6.823 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2020.1 ± 1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281888 (current) | 2023-03-15 | cif/ Adding structures of 8106937 via cif-deposit CGI script. |
8106937.cif |
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Users of the data should acknowledge the original authors of the
structural data.