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Information card for entry 8106258
Preview
| Coordinates | 8106258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N O4 |
|---|---|
| Calculated formula | C16 H17 N O4 |
| SMILES | O=C1OC2(OC(=O)C1=CNc1ccccc1)CCCCC2 |
| Title of publication | The crystal structure of 3-((phenylamino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H17N1O4 |
| Authors of publication | Jin-He, Jiang; Wu-Lan, Zeng; Yong-Mei, Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 677 - 678 |
| a | 7.0971 ± 0.0003 Å |
| b | 7.6638 ± 0.0004 Å |
| c | 13.2375 ± 0.0006 Å |
| α | 92.116 ± 0.001° |
| β | 99.69 ± 0.001° |
| γ | 95.196 ± 0.001° |
| Cell volume | 705.81 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279564 (current) | 2022-11-25 | cif/ Adding structures of 8106258 via cif-deposit CGI script. |
8106258.cif |
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Users of the data should acknowledge the original authors of the
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