Information card for entry 2231851

Structure parameters

• Chemical name: 7-Phenyl-7<i>H</i>-dinaphtho[2,1-<i>b</i>:1',2'-<i>d</i>]phosphole 7-oxide
• Formula: C26 H17 O P
• Calculated formula: C26 H17 O P
• SMILES: O=P1(c2c(c3c(cc2)cccc3)c2c1ccc1c2cccc1)c1ccccc1
• Title of publication: 7-Phenyl-7<i>H</i>-dinaphtho[2,1-<i>b</i>:1',2'-<i>d</i>]phosphole 7-oxide
• Authors of publication: Yao, Lan; Zhao, Chang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2799
• a: 10.9637 ± 0.0012 Å
• b: 8.0627 ± 0.0008 Å
• c: 11.0352 ± 0.0013 Å
• α: 90°
• β: 94.746 ± 0.001°
• γ: 90°
• Cell volume: 972.13 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No