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Information card for entry 7118200
Preview
| Coordinates | 7118200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H29 P |
|---|---|
| Calculated formula | C22 H29 P |
| Title of publication | Cyclopropane formation under frustrated Lewis pair conditions. |
| Authors of publication | Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 13 |
| Pages of publication | 2695 - 2697 |
| a | 8.3322 ± 0.0002 Å |
| b | 8.5865 ± 0.0003 Å |
| c | 13.0867 ± 0.0004 Å |
| α | 87.833 ± 0.001° |
| β | 85.945 ± 0.001° |
| γ | 86.322 ± 0.001° |
| Cell volume | 931.49 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118200.cif |
| 177634 | 2016-03-05 | cif/ Updating files of 7118199, 7118200, 7118201, 7118202 Original log message: Adding full bibliography for 7118199--7118202.cif. |
7118200.cif |
| 171853 | 2016-01-01 | cif/ Adding structures of 7118199, 7118200, 7118201, 7118202 via cif-deposit CGI script. |
7118200.cif |
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Users of the data should acknowledge the original authors of the
structural data.