Information card for entry 2200610

Structure parameters

• Chemical name: Pentacyclohexyloxyphosphorane
• Formula: C30 H55 O5 P
• Calculated formula: C30 H55 O5 P
• SMILES: P(OC1CCCCC1)(OC1CCCCC1)(OC1CCCCC1)(OC1CCCCC1)OC1CCCCC1
• Title of publication: Pentacyclohexyloxyphosphorane
• Authors of publication: Davies, John E.; Kirby, Anthony J.; Roussev, Christo D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o994 - o995
• a: 10.0853 ± 0.0002 Å
• b: 10.0892 ± 0.0002 Å
• c: 30.1129 ± 0.0007 Å
• α: 88.403 ± 0.002°
• β: 88.589 ± 0.009°
• γ: 90.021 ± 0.001°
• Cell volume: 3061.95 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes