Information card for entry 2241499

Structure parameters

• Chemical name: 2,5-Bis(diphenylphosphanyl)furan
• Formula: C28 H22 O P2
• Calculated formula: C28 H22 O P2
• SMILES: c1(ccc(o1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 2,5-bis(diphenylphosphanyl)furan
• Authors of publication: Martínez de León, Carla; Tlahuext, Hugo; Grévy, Jean-Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o922 - o923
• a: 10.7179 ± 0.0009 Å
• b: 8.5559 ± 0.0007 Å
• c: 24.55 ± 0.002 Å
• α: 90°
• β: 94.309 ± 0.001°
• γ: 90°
• Cell volume: 2244.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes