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Information card for entry 2023256
Preview
| Coordinates | 2023256.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,2'-Diisobutoxy-1,1'-binaphthalene |
|---|---|
| Formula | C28 H30 O2 |
| Calculated formula | C28 H30 O2 |
| Title of publication | Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobutoxy-1,1′-binaphthalene |
| Authors of publication | Coulibaly, Pénayori Marie-Aimée; Ziki, Eric; Bisseyou, Yvon Bibila Mayaya; Camara, Tchambaga Etienne; Coulibaly, Souleymane; Sissouma, Drissa |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 11.3889 ± 0.0008 Å |
| b | 15.6537 ± 0.0011 Å |
| c | 12.5193 ± 0.0009 Å |
| α | 90° |
| β | 99.92 ± 0.002° |
| γ | 90° |
| Cell volume | 2198.6 ± 0.3 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0755 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294882 (current) | 2024-09-25 | cif/ Adding structures of 2023256 via cif-deposit CGI script. |
2023256.cif |
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