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Information card for entry 4119934
Preview
| Coordinates | 4119934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H38 B F10 O P |
|---|---|
| Calculated formula | C44 H38 B F10 O P |
| SMILES | [P+]1([C@H]2[C@H]3CC[C@@H]([C@@H]2[B](O[C@@H]1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C3)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P+]1([C@@H]2[C@@H]3CC[C@H]([C@H]2[B](O[C@H]1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C3)(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 | 11.3261 ± 0.0002 Å |
| b | 11.4019 ± 0.0002 Å |
| c | 18.0739 ± 0.0004 Å |
| α | 80.106 ± 0.004° |
| β | 86.398 ± 0.007° |
| γ | 67.178 ± 0.008° |
| Cell volume | 2119.31 ± 0.15 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.1995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
4119934.cif |
| 104591 | 2014-03-11 | cif/ Adding structures of 4119934 via cif-deposit CGI script. |
4119934.cif |
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Users of the data should acknowledge the original authors of the
structural data.