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Information card for entry 8105496
Preview
| Coordinates | 8105496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 N O6 |
|---|---|
| Calculated formula | C23 H23 N O6 |
| SMILES | O=C1C(=COc2c1cccc2)C(c1ccccc1NC(=O)OC(C)(C)C)C(=O)OC |
| Title of publication | Synthesis and crystal structure of methyl 2-(2-((tert-butoxycarbonyl)amino)phenyl)-2-(4-oxo-4H-chromen-3-yl)acetate, C23H23NO6 |
| Authors of publication | Li, Wu-Wu; Liu, Xiong-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1465 - 1467 |
| a | 7.5845 ± 0.0004 Å |
| b | 14.7024 ± 0.0005 Å |
| c | 18.1433 ± 0.0006 Å |
| α | 90° |
| β | 98.753 ± 0.004° |
| γ | 90° |
| Cell volume | 1999.6 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276227 (current) | 2022-06-24 | cif/ Adding structures of 8105496 via cif-deposit CGI script. |
8105496.cif |
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Users of the data should acknowledge the original authors of the
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