Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4027280
Preview
Coordinates | 4027280.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H29 B Br P |
---|---|
Calculated formula | C18 H29 B Br P |
SMILES | c1(c(cccc1)Br)[P](C1CCCCC1)(C1CCCCC1)[BH3] |
Title of publication | Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry |
Authors of publication | Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 5759 - 5769 |
a | 12.4399 ± 0.0002 Å |
b | 14.7988 ± 0.0004 Å |
c | 22.9356 ± 0.0005 Å |
α | 90° |
β | 119.712 ± 0.002° |
γ | 90° |
Cell volume | 3667.22 ± 0.16 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0908 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4027280.html
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.