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Information card for entry 4104754
Preview
Coordinates | 4104754.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,3-Dimesityl-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole |
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Formula | C34 H48 N2 P2 |
Calculated formula | C34 H48 N2 P2 |
SMILES | P1(N(C(=C(N1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)P1C(=C(C(=C1CC)CC)CC)CC |
Title of publication | Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures |
Authors of publication | Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 10763 - 10774 |
a | 9.219 ± 0.0002 Å |
b | 20.3427 ± 0.0005 Å |
c | 34.1942 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6412.8 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1608 |
Residual factor for significantly intense reflections | 0.0978 |
Weighted residual factors for significantly intense reflections | 0.1581 |
Weighted residual factors for all reflections included in the refinement | 0.1833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
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/4104754.html
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