Information card for entry 4319751

Structure parameters

• Formula: C32 H30 O3 P2
• Calculated formula: C32 H30 O3 P2
• SMILES: P(=O)(Cc1cc(ccc1)CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Synthesis and Coordination Chemistry of 1,3-Bis(diphenylphosphinomethyl)benzene P,P'-Dioxide
• Authors of publication: Yun-Chou Tan; Xin-Min Gan; Jesse L. Stanchfield; Eileen N. Duesler; R. T. Paine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2910 - 2913
• a: 10.082 ± 0.002 Å
• b: 10.185 ± 0.003 Å
• c: 26.724 ± 0.008 Å
• α: 90°
• β: 92.718 ± 0.015°
• γ: 90°
• Cell volume: 2741.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No