Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154168
Preview
Coordinates | 7154168.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H38 B F10 P |
---|---|
Calculated formula | C41 H38 B F10 P |
SMILES | [P]1([B](C(=C1C(=C)C)/C=C/C(C)(C)C)(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 | 22.3123 ± 0.0003 Å |
b | 15.8067 ± 0.0002 Å |
c | 23.2517 ± 0.0004 Å |
α | 90° |
β | 106.554 ± 0.001° |
γ | 90° |
Cell volume | 7860.6 ± 0.2 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 | 0.117 |
Residual factor for significantly intense reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.1616 |
Weighted residual factors for all reflections included in the refinement | 0.1822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
7154168.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. |
7154168.cif |
125798 | 2014-10-24 | cif/ Adding structures of 7154166, 7154167, 7154168, 7154169, 7154170, 7154171, 7154172, 7154173 via cif-deposit CGI script. |
7154168.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.