Information card for entry 2200941

Structure parameters

• Formula: C32 H41 O5 P
• Calculated formula: C32 H41 O5 P
• SMILES: C1CCC(CC1)OP1(OC2CCCCC2)(OC2CCCCC2)Oc2c(O1)c1ccccc1c1c2cccc1
• Title of publication: 2,2,2-Tris(cyclohexyloxy)-4,5-(2',2''-biphenylo)-1,3,2-dioxaphospholene
• Authors of publication: Jones, Peter G.; Kirby, Anthony J.; Pilkington, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o268 - o269
• a: 9.665 ± 0.002 Å
• b: 15.394 ± 0.003 Å
• c: 19.2 ± 0.004 Å
• α: 90°
• β: 93.92 ± 0.02°
• γ: 90°
• Cell volume: 2850 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes