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Information card for entry 1552971
Preview
| Coordinates | 1552971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30 N2 |
|---|---|
| Calculated formula | C31 H30 N2 |
| Title of publication | Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives |
| Authors of publication | Wang, Bin; Gu, Zhenhua |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | 271 |
| a | 26.28 ± 0.002 Å |
| b | 9.4772 ± 0.0007 Å |
| c | 9.5917 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2388.9 ± 0.3 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232916 (current) | 2019-11-23 | cif/ Adding structures of 1552969, 1552970, 1552971 via cif-deposit CGI script. |
1552971.cif |
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Users of the data should acknowledge the original authors of the
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