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Information card for entry 8105733
Preview
| Coordinates | 8105733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H29 N O2 |
|---|---|
| Calculated formula | C26 H29 N O2 |
| SMILES | O=C(NC12CC3CC(C1)CC(C2)C3)C(c1cccc(c1)C(=O)c1ccccc1)C |
| Title of publication | Crystal structure of N-((3s,5s,7s)-adamantan-1-yl)-2-(3-benzoylphenyl)propanamide, C26H29NO2 |
| Authors of publication | Gao, Li-Na; Gu, Ye; Jin, Feng; Hao, Duo; Zhang, Xin-Ru |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 497 - 499 |
| a | 10.849 ± 0.0008 Å |
| b | 13.2892 ± 0.0009 Å |
| c | 14.7199 ± 0.001 Å |
| α | 89.161 ± 0.003° |
| β | 79.991 ± 0.002° |
| γ | 85.746 ± 0.002° |
| Cell volume | 2084.2 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.145 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277536 (current) | 2022-09-01 | cif/ Adding structures of 8105733 via cif-deposit CGI script. |
8105733.cif |
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Users of the data should acknowledge the original authors of the
structural data.