Information card for entry 1506955

Structure parameters

• Formula: C56 H34 F24 O P2
• Calculated formula: C56 H34 F24 O P2
• SMILES: P(c1c(c2ccccc2cc1)c1c(P(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc2ccccc12)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.CCOCC
• 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: 13.3186 ± 0.0002 Å
• b: 14.8047 ± 0.0002 Å
• c: 15.3134 ± 0.0003 Å
• α: 85.932 ± 0.001°
• β: 72.993 ± 0.001°
• γ: 73.854 ± 0.001°
• Cell volume: 2773.35 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.3239
• Weighted residual factors for all reflections included in the refinement: 0.357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No