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Information card for entry 7157156
Preview
| Coordinates | 7157156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H60 N6 Se3 |
|---|---|
| Calculated formula | C72 H60 N6 Se3 |
| Title of publication | Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling. |
| Authors of publication | Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 9467 |
| a | 11.8825 ± 0.0006 Å |
| b | 12.7306 ± 0.0005 Å |
| c | 20.6914 ± 0.0008 Å |
| α | 90.924 ± 0.003° |
| β | 101.853 ± 0.004° |
| γ | 111.378 ± 0.004° |
| Cell volume | 2838.3 ± 0.2 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0209 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157156.cif |
| 225311 | 2019-11-08 | cif/ Updating files of 7157149, 7157150, 7157151, 7157152, 7157153, 7157154, 7157155, 7157156 Original log message: Adding full bibliography for 7157149--7157156.cif. |
7157156.cif |
| 219381 | 2019-10-16 | cif/ Adding structures of 7157149, 7157150, 7157151, 7157152, 7157153, 7157154, 7157155, 7157156 via cif-deposit CGI script. |
7157156.cif |
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Users of the data should acknowledge the original authors of the
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