Information card for entry 2232826

Structure parameters

• Chemical name: 4,6-Bis(diphenylphosphanyl)dibenzo[<i>b</i>,<i>d</i>]furan
• Formula: C36 H26 O P2
• Calculated formula: C36 H26 O P2
• SMILES: c1(cccc2c1oc1c(cccc21)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Title of publication: 4,6-Bis(diphenylphosphanyl)dibenzo[<i>b</i>,<i>d</i>]furan
• Authors of publication: Marimuthu, Thashree; Friedrich, Holger B.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3319
• a: 11.7463 ± 0.0002 Å
• b: 14.7238 ± 0.0003 Å
• c: 16.714 ± 0.0004 Å
• α: 96.821 ± 0.002°
• β: 96.351 ± 0.005°
• γ: 95.24 ± 0.002°
• Cell volume: 2836.59 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes