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Information card for entry 7156927
Preview
| Coordinates | 7156927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H19 N3 O2 |
|---|---|
| Calculated formula | C21 H19 N3 O2 |
| Title of publication | Predictive chirality sensing via Schiff base formation. |
| Authors of publication | Pilicer, Samantha L.; Mancinelli, Michele; Mazzanti, Andrea; Wolf, Christian |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 6699 - 6705 |
| a | 7.6371 ± 0.0004 Å |
| b | 14.5261 ± 0.0008 Å |
| c | 16.1757 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1794.49 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0997 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7156927.cif |
| 225065 | 2019-11-08 | cif/ Updating files of 7156927 Original log message: Adding full bibliography for 7156927.cif. |
7156927.cif |
| 216441 | 2019-06-21 | cif/ Adding structures of 7156927 via cif-deposit CGI script. |
7156927.cif |
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Users of the data should acknowledge the original authors of the
structural data.