Information card for entry 2006057

Structure parameters

• Chemical name: 1,4-phenylenebis(diphenylphosphine oxide)
• Formula: C30 H24 O2 P2
• Calculated formula: C30 H24 O2 P2
• SMILES: c1(ccc(cc1)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: 1,4-Phenylenebis(diphenylphosphine oxide)
• Authors of publication: Alexander, N. C.; Robinson, B. H.; Simpson, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 465 - 467
• a: 6.906 ± 0.004 Å
• b: 12.009 ± 0.007 Å
• c: 14.643 ± 0.008 Å
• α: 90°
• β: 95.88 ± 0.04°
• γ: 90°
• Cell volume: 1208 ± 1.2 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: 0.0947
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0405
• Goodness-of-fit parameter for significantly intense reflections: 1.3996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No