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Information card for entry 8104911
Preview
| Coordinates | 8104911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 N O2 |
|---|---|
| Calculated formula | C20 H19 N O2 |
| SMILES | c12ccccc1cccc2[C@@H](C)N1C(=O)[C@H]2[C@]3(C1)C=C[C@H](C2)O3 |
| Title of publication | The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2 |
| Authors of publication | Gong, Yi-Xia; Geng, Yi-Ding |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 167 - 168 |
| a | 6.6856 ± 0.0005 Å |
| b | 8.8783 ± 0.0007 Å |
| c | 13.2398 ± 0.0009 Å |
| α | 90° |
| β | 97.72 ± 0.002° |
| γ | 90° |
| Cell volume | 778.75 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0708 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274065 (current) | 2022-03-29 | cif/ Adding structures of 8104911 via cif-deposit CGI script. |
8104911.cif |
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Users of the data should acknowledge the original authors of the
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