Information card for entry 2201978

Structure parameters

• Common name: none
• Chemical name: (3, 3-dephenoxy-cyclohexyl)-phosphonic acid diphenyl ester
• Formula: C30 H29 O5 P
• Calculated formula: C30 H29 O5 P
• SMILES: P(=O)(Oc1ccccc1)(Oc1ccccc1)[C@H]1CC(Oc2ccccc2)(Oc2ccccc2)CCC1
• Title of publication: Diphenyl (3,3-diphenoxycyclohexyl)phosphonate
• Authors of publication: Ilia A. Guzei; Robert Stockland Jr.; Trevor W. Tennis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o129 - o131
• a: 13.612 ± 0.003 Å
• b: 5.8536 ± 0.0011 Å
• c: 16.9 ± 0.003 Å
• α: 90°
• β: 112.63 ± 0.01°
• γ: 90°
• Cell volume: 1242.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes