Information card for entry 2010757

Structure parameters

• Chemical name: Bis[2-(diphenylphosphinyl)benzene] disulfide
• Formula: C36 H28 O2 P2 S2
• Calculated formula: C36 H28 O2 P2 S2
• SMILES: c1(c(SSc2c(cccc2)P(=O)(c2ccccc2)c2ccccc2)cccc1)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: Bis[2-(diphenylphosphinoyl)benzene] disulfide
• Authors of publication: Perez-Lourido, P.; Garcia-Vazquez, J. A.; Romero, J.; Fernandez, P.; Sousa-Pedrares, A.; Sousa, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e101 - e102
• a: 13.249 ± 0.003 Å
• b: 10.801 ± 0.002 Å
• c: 21.193 ± 0.005 Å
• α: 90°
• β: 104.5 ± 0.02°
• γ: 90°
• Cell volume: 2936.2 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes