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Information card for entry 7246744
Preview
| Coordinates | 7246744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 Cl N2 O5 |
|---|---|
| Calculated formula | C16 H21 Cl N2 O5 |
| Title of publication | On the pairwise cocrystallization of racemic compounds |
| Authors of publication | Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 3060 - 3065 |
| a | 7.737 ± 0.0014 Å |
| b | 10.7279 ± 0.0012 Å |
| c | 11.583 ± 0.002 Å |
| α | 63.137 ± 0.016° |
| β | 86.083 ± 0.015° |
| γ | 84.134 ± 0.013° |
| Cell volume | 852.9 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284258 (current) | 2023-06-05 | cif/ Updating files of 7246740, 7246741, 7246742, 7246743, 7246744, 7246745, 7246746, 7246747, 7246748, 7246749, 7246750, 7246751, 7246752, 7246753, 7246754, 7246755, 7246756 Original log message: Adding full bibliography for 7246740--7246756.cif. |
7246744.cif |
| 283000 | 2023-05-05 | cif/ Adding structures of 7246740, 7246741, 7246742, 7246743, 7246744, 7246745, 7246746, 7246747, 7246748, 7246749, 7246750, 7246751, 7246752, 7246753, 7246754, 7246755, 7246756 via cif-deposit CGI script. |
7246744.cif |
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Users of the data should acknowledge the original authors of the
structural data.