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Information card for entry 4125733
Preview
| Coordinates | 4125733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69.5 H63 Au Cl4 F6 N2 O4 P Sb |
|---|---|
| Calculated formula | C69.5 H63 Au Cl4 F6 N2 O4 P Sb |
| Title of publication | Enantioselective Synthesis of [6]Carbohelicenes. |
| Authors of publication | González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 4 |
| Pages of publication | 1428 - 1431 |
| a | 10.75 ± 0.004 Å |
| b | 24.403 ± 0.014 Å |
| c | 25.635 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6725 ± 5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 9 |
| 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 | 0.1087 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125733.cif |
| 296166 | 2024-11-29 | Removed the '_chemical_name_systematic' and '_chemical_name_common' data names that had the 'Title' placeholder value. |
4125733.cif |
| 193112 | 2017-03-04 | cif/ Adding structures of 4125733 via cif-deposit CGI script. |
4125733.cif |
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Users of the data should acknowledge the original authors of the
structural data.