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Information card for entry 4519439
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| Coordinates | 4519439.cif |
|---|---|
| Structure factors | 4519439.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 9H-fluorene:dibenzo[b,d]furan 0.69:0.31 |
|---|---|
| Formula | C12.69 H9.37 O0.31 |
| Calculated formula | C12.684 H9.368 O0.316 |
| Title of publication | Seeking Rules Governing Mixed Molecular Crystallization |
| Authors of publication | Norbert M. Villeneuve; Joshua Dickman; Thierry Maris; Graeme M. Day; James D. Wuest |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2023 |
| Journal volume | 23 |
| Pages of publication | 273 - 288 |
| a | 8.0978 ± 0.0003 Å |
| b | 18.8577 ± 0.0008 Å |
| c | 5.7063 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 871.39 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280095 (current) | 2023-01-04 | cif/ hkl/ Adding structures of 4519439 via cif-deposit CGI script. |
4519439.cif 4519439.hkl |
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