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Information card for entry 7118346
Preview
| Coordinates | 7118346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H72 B2 N4 O P2 |
|---|---|
| Calculated formula | C58 H72 B2 N4 O P2 |
| Title of publication | Even the normal is abnormal: N-heterocyclic carbene C(2) binding to a phosphaalkene without breaking the P[double bond, length as m-dash]C π-bond. |
| Authors of publication | Majhi, Paresh Kumar; Chow, Keith C. F.; Hsieh, Tom H. H.; Bowes, Eric G.; Schnakenburg, Gregor; Kennepohl, Pierre; Streubel, Rainer; Gates, Derek P. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 998 - 1001 |
| a | 25.984 ± 0.002 Å |
| b | 9.734 ± 0.001 Å |
| c | 21.55 ± 0.002 Å |
| α | 90° |
| β | 108.32 ± 0.01° |
| γ | 90° |
| Cell volume | 5174.3 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2228 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.754 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7118346.cif |
| 173535 | 2016-01-06 | cif/ Adding structures of 7118345, 7118346 via cif-deposit CGI script. |
7118346.cif |
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Users of the data should acknowledge the original authors of the
structural data.