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Information card for entry 4102847
Preview
| Coordinates | 4102847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H41 B N2 O2 S |
|---|---|
| Calculated formula | C29 H41 B N2 O2 S |
| Title of publication | Access to B=S and B=Se Double Bonds via Sulfur and Selenium Insertion into a B-H Bond and Hydrogen Migration |
| Authors of publication | Hao Wang; Jianying Zhang; Hongfan Hu; Chunming Cui |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10998 - 10999 |
| a | 13.602 ± 0.003 Å |
| b | 14.663 ± 0.003 Å |
| c | 14.029 ± 0.003 Å |
| α | 90° |
| β | 95.01 ± 0.03° |
| γ | 90° |
| Cell volume | 2787.3 ± 1 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for significantly intense reflections | 0.2611 |
| Weighted residual factors for all reflections included in the refinement | 0.2708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102847.cif |
| 178774 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/28. |
4102847.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102847.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102847.cif |
| 25766 | 2011-09-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4102847 via cif-deposit CGI script. |
4102847.cif |
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Users of the data should acknowledge the original authors of the
structural data.