Information card for entry 2216068

Structure parameters

• Chemical name: <i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane
• Formula: C16 H18 P2
• Calculated formula: C16 H18 P2
• SMILES: c1ccc(cc1)P1CCP(CC1)c1ccccc1
• Title of publication: <i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane
• Authors of publication: Michael L. Williams; Samuel P.C. Dunstan; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4258 - o4258
• a: 16.585 ± 0.006 Å
• b: 11.584 ± 0.006 Å
• c: 7.391 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1420 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes