Information card for entry 4074336

Structure parameters

• Chemical name: (4aR,8aR)-tetrahydro-2,4,4,6,8,8-hexaphenyl-[1,3,2]dioxaborinino [5,4-d][1,3,2]dioxaborinine
• Formula: C40 H32 B2 O5
• Calculated formula: C40 H32 B2 O5
• Title of publication: Hydrolytically Stable Tricoordinate Chiral Bicyclo[4.4.0]diboronic Ester: Synthesis, Structural Characterization, and Theoretical Investigation†
• Authors of publication: Zhou, Yan; Shan, Zixing; Wang, Baoshan; Xie, Peng
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4917
• a: 9.6051 ± 0.0013 Å
• b: 9.9781 ± 0.0013 Å
• c: 10.4687 ± 0.0014 Å
• α: 111.552 ± 0.002°
• β: 90.165 ± 0.002°
• γ: 108.708 ± 0.002°
• Cell volume: 875.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No