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Information card for entry 1551809
Preview
| Coordinates | 1551809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H52 O2 |
|---|---|
| Calculated formula | C38 H52 O2 |
| SMILES | O=C(O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)c1cccc2ccccc12 |
| Title of publication | Crystal Structure of Cholesteryl 1-Naphthoate |
| Authors of publication | KUBO, Kanji; TSUJI, Kazuki; MATSUMOTO, Taisuke; MORI, Akira |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 29 |
| a | 9.702 ± 0.002 Å |
| b | 11.936 ± 0.003 Å |
| c | 13.977 ± 0.004 Å |
| α | 90° |
| β | 104.677 ± 0.001° |
| γ | 90° |
| Cell volume | 1565.8 ± 0.7 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216422 (current) | 2019-06-20 | cif/ Adding structures of 1551809 via cif-deposit CGI script. |
1551809.cif |
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