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Information card for entry 7154169
Preview
| Coordinates | 7154169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H34 B F10 P |
|---|---|
| Calculated formula | C43 H34 B F10 P |
| SMILES | [P]1([B](C(=C1C(=C)C)/C=C/c1ccccc1)(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 | 1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks. |
| Authors of publication | Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 3 |
| Pages of publication | 764 - 769 |
| a | 21.8974 ± 0.0005 Å |
| b | 20.212 ± 0.0005 Å |
| c | 20.4155 ± 0.0007 Å |
| α | 90° |
| β | 108.587 ± 0.001° |
| γ | 90° |
| Cell volume | 8564.4 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180327 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41. |
7154169.cif |
| 133516 | 2015-03-06 | cif/ Updating files of 7154166, 7154167, 7154168, 7154169, 7154170, 7154171, 7154172, 7154173 Original log message: Adding full bibliography for 7154166--7154173.cif. |
7154169.cif |
| 125798 | 2014-10-24 | cif/ Adding structures of 7154166, 7154167, 7154168, 7154169, 7154170, 7154171, 7154172, 7154173 via cif-deposit CGI script. |
7154169.cif |
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Users of the data should acknowledge the original authors of the
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