Information card for entry 2000640

Structure parameters

• Chemical name: trans-1,3-bis(diphenylphosphinoyl)cyclohexane
• Formula: C30 H30 O2 P2
• Calculated formula: C30 H30 O2 P2
• SMILES: P(=O)([C@@H]1C[C@@H](P(=O)(c2ccccc2)c2ccccc2)CCC1)(c1ccccc1)c1ccccc1.P(=O)([C@H]1C[C@H](P(=O)(c2ccccc2)c2ccccc2)CCC1)(c1ccccc1)c1ccccc1
• Title of publication: <i>trans</i>-1,3-Bis(diphenylphosphinoyl)cyclohexane
• Authors of publication: Morooka, M.; Hashimoto, T.; Maeta, H.; Matsumoto, T.; Suzuki, K.; Ohba, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1710 - 1712
• a: 11.476 ± 0.001 Å
• b: 13.177 ± 0.001 Å
• c: 9.267 ± 0.001 Å
• α: 106.19 ± 0.01°
• β: 96.38 ± 0.01°
• γ: 96 ± 0.01°
• Cell volume: 1323.9 ± 0.2 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 2.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No