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Information card for entry 1547263
Preview
| Coordinates | 1547263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 B10 N2 O2 |
|---|---|
| Calculated formula | C17 H22 B10 N2 O2 |
| SMILES | O(C(=O)c1[nH]c2c(c1)cccc2)[B]1234[BH]567[BH]893[C]3%101([C]1%112(c2ncccc2)[BH]246[BH]46%11[BH]%11%101[BH]193[BH]358[BH]724[BH]6%1113)C |
| Title of publication | Pyridyl-Directed Cp*Rh(III)-Catalyzed B(3)-H Acyloxylation of o-Carborane. |
| Authors of publication | Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 19 |
| Pages of publication | 5178 - 5181 |
| a | 7.8102 ± 0.0018 Å |
| b | 10.484 ± 0.002 Å |
| c | 14.408 ± 0.003 Å |
| α | 101.922 ± 0.005° |
| β | 101.787 ± 0.004° |
| γ | 102.815 ± 0.004° |
| Cell volume | 1086.2 ± 0.4 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202787 (current) | 2017-11-07 | cif/ Updating files of 1547262, 1547263, 1547264 Original log message: Adding full bibliography for 1547262--1547264.cif. |
1547263.cif |
| 201091 | 2017-09-21 | cif/ Adding structures of 1547262, 1547263, 1547264 via cif-deposit CGI script. |
1547263.cif |
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Users of the data should acknowledge the original authors of the
structural data.