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Information card for entry 2232111
Preview
Coordinates | 2232111.cif |
---|---|
Structure factors | 2232111.hkl |
Original IUCr paper | HTML |
Common name | (<i>R</i>~p~,<i>R</i>~p~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide |
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Chemical name | (<i>R</i>~P~,<i>R</i>~P~)-Bis[(2-isopropyl-5- methylcyclohexyloxy)(phenyl)phosphinoyl] disulfide |
Formula | C32 H48 O4 P2 S2 |
Calculated formula | C32 H48 O4 P2 S2 |
SMILES | [C@@H]1(C[C@@H](O[P@@](=O)(c2ccccc2)SS[P@@](=O)(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)c2ccccc2)[C@@H](CC1)C(C)C)C |
Title of publication | (<i>R</i>~P~,<i>R</i>~P~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide |
Authors of publication | Xu, Zhong-Yuan; Zhao, Chang-Qiu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | o2802 |
a | 9.991 ± 0.0009 Å |
b | 18.91 ± 0.0017 Å |
c | 8.9747 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1695.6 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232111.html
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Users of the data should acknowledge the original authors of the
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