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Information card for entry 7236292
Preview
| Coordinates | 7236292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | SFX-MeOTAD |
|---|---|
| Chemical name | 2, 2?, 7, 7?-Tetrakis (N, N-di(4-methoxyphenyl)amino) - spiro (fluorene-9, 9?-xanthene) |
| Formula | C81 H68 N4 O9 |
| Calculated formula | C81 H68 N4 O9 |
| Title of publication | SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells |
| Authors of publication | Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2016 |
| Journal volume | 4 |
| Journal issue | 13 |
| Pages of publication | 4855 |
| a | 10.5201 ± 0.0003 Å |
| b | 16.2972 ± 0.0004 Å |
| c | 20.9582 ± 0.0006 Å |
| α | 68.652 ± 0.002° |
| β | 80.004 ± 0.002° |
| γ | 71.759 ± 0.002° |
| Cell volume | 3171.29 ± 0.16 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236292.cif |
| 235378 | 2019-11-23 | cif/ Adding structures of 7236292, 7236293, 7236294 via cif-deposit CGI script. |
7236292.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.