Information card for entry 1506954

Structure parameters

• Formula: C48 H28 F12 O2 P2
• Calculated formula: C48 H28 F12 O2 P2
• SMILES: P(=O)(c1c(c2ccccc2cc1)c1c(P(=O)(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)ccc2ccccc12)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.
• Authors of publication: Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 25
• Pages of publication: 4675 - 4678
• a: 28.7227 ± 0.0013 Å
• b: 8.4943 ± 0.0004 Å
• c: 17.9976 ± 0.001 Å
• α: 90°
• β: 109.824 ± 0.002°
• γ: 90°
• Cell volume: 4130.8 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1205
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No