Information card for entry 1504689

Structure parameters

• Common name: dimer
• Chemical name: 1,4-Bis[2-phenyl-1-(2,4,6-tri-tert-butylphenyl)benzophosphole-3-yl]benzene
• Formula: C35 H40 P
• Calculated formula: C35 H40 P
• Title of publication: Modular synthesis of benzo[b]phosphole derivatives via BuLi-mediated cyclization of (o-alkynylphenyl)phosphine.
• Authors of publication: Tsuji, Hayato; Sato, Kosuke; Ilies, Laurean; Itoh, Yoshimitsu; Sato, Yoshiharu; Nakamura, Eiichi
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2263 - 2265
• a: 9.111 ± 0.002 Å
• b: 10.465 ± 0.0015 Å
• c: 15.377 ± 0.004 Å
• α: 95.954 ± 0.007°
• β: 101.137 ± 0.011°
• γ: 94.765 ± 0.008°
• Cell volume: 1422.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No