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Information card for entry 7250415
Preview
| Coordinates | 7250415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H66 O12 |
|---|---|
| Calculated formula | C52 H66 O12 |
| Title of publication | Synthesis and resolution of a 1,1′-biazulene analogue of BINOL |
| Authors of publication | Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E. |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 19 |
| Pages of publication | 14881 - 14892 |
| a | 12.4714 ± 0.0015 Å |
| b | 17.3833 ± 0.0007 Å |
| c | 22.554 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4889.6 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.1585 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299718 (current) | 2025-05-17 | cif/ Adding structures of 7250414, 7250415, 7250416 via cif-deposit CGI script. |
7250415.cif |
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Users of the data should acknowledge the original authors of the
structural data.