Information card for entry 4500046

Structure parameters

• Formula: C34 H36 B N O6
• Calculated formula: C34 H36 B N O6
• Title of publication: Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl
• Authors of publication: Emilie Voisin; Thierry Maris; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Pages of publication: 308 - 318
• a: 14.5833 ± 0.0003 Å
• b: 12.0045 ± 0.0002 Å
• c: 17.6323 ± 0.0003 Å
• α: 90°
• β: 104.137 ± 0.001°
• γ: 90°
• Cell volume: 2993.32 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No