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Information card for entry 7239395
Preview
| Coordinates | 7239395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H24 N2 O8 |
|---|---|
| Calculated formula | C27 H24 N2 O8 |
| Title of publication | Stereo-chemical analysis of racemization of a chiral bipyridine |
| Authors of publication | Wu, Tao; Zhang, Xiao-Peng; You, Xiao-Zeng |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 48 |
| Pages of publication | 26047 |
| a | 7.2917 ± 0.0015 Å |
| b | 10.673 ± 0.002 Å |
| c | 15.371 ± 0.003 Å |
| α | 81.46 ± 0.004° |
| β | 87.501 ± 0.004° |
| γ | 82.96 ± 0.004° |
| Cell volume | 1173.7 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 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 | 0.0864 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.222 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239395.cif |
| 244678 | 2019-11-28 | cif/ Adding structures of 7239395 via cif-deposit CGI script. |
7239395.cif |
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Users of the data should acknowledge the original authors of the
structural data.