Information card for entry 4125083

Structure parameters

• Formula: C33 H39 B2 F3 O2
• Calculated formula: C33 H39 B2 F3 O2
• Title of publication: Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.
• Authors of publication: Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6662 - 6669
• a: 14.316 ± 0.003 Å
• b: 14.506 ± 0.002 Å
• c: 15.944 ± 0.003 Å
• α: 90.042 ± 0.002°
• β: 112.231 ± 0.003°
• γ: 94.799 ± 0.002°
• Cell volume: 3052.3 ± 1 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No