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Information card for entry 7155234
Preview
| Coordinates | 7155234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H42 N3 O3 P |
|---|---|
| Calculated formula | C37 H42 N3 O3 P |
| Title of publication | Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology. |
| Authors of publication | Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 25 |
| Pages of publication | 6024 - 6035 |
| a | 14.6046 ± 0.0011 Å |
| b | 18.958 ± 0.0015 Å |
| c | 23.9068 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6619.2 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2009 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155234.cif |
| 185079 | 2016-08-07 | cif/ Adding structures of 7155234, 7155235 via cif-deposit CGI script. |
7155234.cif |
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Users of the data should acknowledge the original authors of the
structural data.