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Information card for entry 4519430
Preview
| Coordinates | 4519430.cif |
|---|---|
| Structure factors | 4519430.hkl |
| Original paper (by DOI) | HTML |
| Formula | C30 H53 N O4 |
|---|---|
| Calculated formula | C30 H53 N O4 |
| 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 | 10.2444 ± 0.0002 Å |
| b | 7.6716 ± 0.0002 Å |
| c | 18.0614 ± 0.0004 Å |
| α | 90° |
| β | 90.471 ± 0.001° |
| γ | 90° |
| Cell volume | 1419.41 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274930 (current) | 2022-05-05 | cif/ hkl/ Adding structures of 4519430 via cif-deposit CGI script. |
4519430.cif 4519430.hkl |
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Users of the data should acknowledge the original authors of the
structural data.