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Information card for entry 4119939
Preview
| Coordinates | 4119939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H40 B F10 P |
|---|---|
| Calculated formula | C41 H40 B F10 P |
| SMILES | [P+](C1=C[C@H]2CC[C@@H]1C2)(CC[B](CC)(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+](C1=C[C@@H]2CC[C@H]1C2)(CC[B](CC)(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 | 17.5033 ± 0.0006 Å |
| b | 11.6428 ± 0.0005 Å |
| c | 19.5772 ± 0.0013 Å |
| α | 90° |
| β | 111.969 ± 0.002° |
| γ | 90° |
| Cell volume | 3699.9 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0802 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4119939.cif |
| 104601 | 2014-03-11 | cif/ Adding structures of 4119939 via cif-deposit CGI script. |
4119939.cif |
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Users of the data should acknowledge the original authors of the
structural data.