Information card for entry 2006143

Structure parameters

• Chemical name: 5-Phenyldibenzophosphole
• Formula: C18 H13 P
• Calculated formula: C18 H13 P
• SMILES: P1(c2ccccc2c2c1cccc2)c1ccccc1
• Title of publication: 5-Phenyldibenzophosphole, Polymorph 2
• Authors of publication: Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: IUC9700001
• a: 6.0178 ± 0.0006 Å
• b: 28.449 ± 0.003 Å
• c: 8.0272 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.3 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections: 0.971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes