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Information card for entry 1567397
Preview
| Coordinates | 1567397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H27 O7 P |
|---|---|
| Calculated formula | C18 H27 O7 P |
| Title of publication | Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases |
| Authors of publication | Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 29 |
| Pages of publication | 8550 - 8556 |
| a | 6.3864 ± 0.0001 Å |
| b | 7.8416 ± 0.0001 Å |
| c | 39.8125 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1993.79 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276999 (current) | 2022-07-30 | cif/ Adding structures of 1567397 via cif-deposit CGI script. |
1567397.cif |
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