Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4027318
Preview
Coordinates | 4027318.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 B O2 P |
---|---|
Calculated formula | C27 H26 B O2 P |
SMILES | c1(ccccc1)[P]1(c2ccccc2c2cccc(c12)C(c1ccccc1)OCOC)[BH3] |
Title of publication | Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates |
Authors of publication | Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 6117 - 6127 |
a | 11.1694 ± 0.0003 Å |
b | 14.4645 ± 0.0006 Å |
c | 14.2419 ± 0.0005 Å |
α | 90° |
β | 92.162 ± 0.002° |
γ | 90° |
Cell volume | 2299.28 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0426 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1157 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/4027318.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.