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Information card for entry 4519427
Preview
| Coordinates | 4519427.cif |
|---|---|
| Structure factors | 4519427.hkl |
| Original paper (by DOI) | HTML |
| Formula | C34 H64 N O8.5 |
|---|---|
| Calculated formula | C34 H64 N O8.5 |
| Title of publication | Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids |
| Authors of publication | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2022 |
| Journal volume | 22 |
| Pages of publication | 3505 - 3517 |
| a | 28.0367 ± 0.0016 Å |
| b | 7.5296 ± 0.0004 Å |
| c | 17.7558 ± 0.001 Å |
| α | 90° |
| β | 113.99 ± 0.003° |
| γ | 90° |
| Cell volume | 3424.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274927 (current) | 2022-05-05 | cif/ hkl/ Adding structures of 4519427 via cif-deposit CGI script. |
4519427.cif 4519427.hkl |
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Users of the data should acknowledge the original authors of the
structural data.