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Information card for entry 8106762
Preview
| Coordinates | 8106762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N O3 |
|---|---|
| Calculated formula | C18 H17 N O3 |
| SMILES | O1[C@@H](OC[C@@]2(N=C(OC2)c2ccccc2)C1)c1ccccc1 |
| Title of publication | Crystal structure of 2,8-diphenyl-3,7,9-trioxa-1-azaspiro[4.5]dec-1-ene, C18H17N1O3 |
| Authors of publication | Zhang, Min; Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 1039 - 1040 |
| a | 14.9752 ± 0.0008 Å |
| b | 9.0793 ± 0.0005 Å |
| c | 11.103 ± 0.0006 Å |
| α | 90° |
| β | 106.431 ± 0.001° |
| γ | 90° |
| Cell volume | 1447.96 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280866 (current) | 2023-02-13 | cif/ Adding structures of 8106762 via cif-deposit CGI script. |
8106762.cif |
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Users of the data should acknowledge the original authors of the
structural data.