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Information card for entry 3000603
Preview
No preview available: structure is on hold until 2025-12-01
| Coordinates | Coordinates are not available: structure is on hold until 2025-12-01 |
|---|
| Chemical name | benzyl ((2S,4S)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate |
|---|---|
| Formula | C24 H23 Cl N2 O3 |
| Authors of publication | Rakovský, Erik; Kisszekelyi, Péter; Doblejová, Terézia; Šebesta, Radovan |
| Journal of publication | To be published in Chemical Communications |
| a | 8.7549 ± 0.0004 Å |
| b | 4.8924 ± 0.0002 Å |
| c | 24.0363 ± 0.0011 Å |
| α | 90° |
| β | 95.493 ± 0.004° |
| γ | 90° |
| Cell volume | 1024.81 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.