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Information card for entry 4088153
Preview
| Coordinates | 4088153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C63 H50 B F15 N O P Si |
|---|---|
| Calculated formula | C63 H50 B F15 N O P Si |
| Title of publication | FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route |
| Authors of publication | Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 35 |
| Journal issue | 1 |
| Pages of publication | 55 |
| a | 11.7505 ± 0.0004 Å |
| b | 12.4955 ± 0.0005 Å |
| c | 21.01 ± 0.0012 Å |
| α | 102.451 ± 0.003° |
| β | 92.353 ± 0.003° |
| γ | 110.29 ± 0.002° |
| Cell volume | 2802.7 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088153.cif |
| 237316 | 2019-11-24 | cif/ Adding structures of 4088149, 4088150, 4088151, 4088152, 4088153 via cif-deposit CGI script. |
4088153.cif |
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Users of the data should acknowledge the original authors of the
structural data.