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Information card for entry 4119938
Preview
| Coordinates | 4119938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 B F10 N O P |
|---|---|
| Calculated formula | C37 H33 B F10 N O P |
| SMILES | [P+]1(N(O)[B]([C@H]2[C@H]1[C@@H]1CC[C@H]2C1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P+]1(N(O)[B]([C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions |
| Authors of publication | Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 8882 - 8895 |
| a | 9.0382 ± 0.0002 Å |
| b | 13.0849 ± 0.0002 Å |
| c | 15.5601 ± 0.0003 Å |
| α | 113.879 ± 0.002° |
| β | 96.7 ± 0.001° |
| γ | 93.957 ± 0.001° |
| Cell volume | 1657.45 ± 0.06 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178970 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99. |
4119938.cif |
| 104599 | 2014-03-11 | cif/ Adding structures of 4119938 via cif-deposit CGI script. |
4119938.cif |
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Users of the data should acknowledge the original authors of the
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