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Information card for entry 1574407
Preview
| Coordinates | 1574407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1R,2R)-2-bromo-2-phenylcyclopropane-1-carbonitrile |
|---|---|
| Formula | C10 H8 Br N |
| Calculated formula | C10 H8 Br N |
| Title of publication | Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover |
| Authors of publication | Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 7.0173 ± 0.0004 Å |
| b | 9.839 ± 0.0006 Å |
| c | 12.9563 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 894.54 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299280 (current) | 2025-04-12 | cif/ Adding structures of 1574403, 1574404, 1574405, 1574406, 1574407 via cif-deposit CGI script. |
1574407.cif |
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Users of the data should acknowledge the original authors of the
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