Information card for entry 7046230

Structure parameters

• Chemical name: 7-(diphenylaminophenyl)benzo[b]phosphole oxide
• Formula: C44 H32 N O P
• Calculated formula: C44 H32 N O P
• Title of publication: Regioselective functionalization at the 7-position of 1,2,3-triphenylbenzo[b]phosphole oxide via P[double bond, length as m-dash]O-directed lithiation.
• Authors of publication: Wakatsuki, Ayana; Yukimoto, Mariko; Minoura, Mao; Fujii, Kaori; Kimura, Yoshifumi; Matano, Yoshihiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 21
• Pages of publication: 7123 - 7127
• a: 9.925 ± 0.0004 Å
• b: 10.1565 ± 0.0003 Å
• c: 17.6017 ± 0.0007 Å
• α: 100.887 ± 0.001°
• β: 93.347 ± 0.001°
• γ: 112.723 ± 0.002°
• Cell volume: 1590.15 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No