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Information card for entry 7155235
Preview
| Coordinates | 7155235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H49 N3 O3 P |
|---|---|
| Calculated formula | C33 H49 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 | 13.9411 ± 0.0012 Å |
| b | 17.726 ± 0.001 Å |
| c | 14.8278 ± 0.001 Å |
| α | 90° |
| β | 109.535 ± 0.009° |
| γ | 90° |
| Cell volume | 3453.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for significantly intense reflections | 0.2281 |
| Weighted residual factors for all reflections included in the refinement | 0.2522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7155235.cif |
| 185079 | 2016-08-07 | cif/ Adding structures of 7155234, 7155235 via cif-deposit CGI script. |
7155235.cif |
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Users of the data should acknowledge the original authors of the
structural data.