Information card for entry 4500048

Structure parameters

• Formula: C29 H31 B N2 O5
• Calculated formula: C29 H31 B N2 O5
• 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: 12.0516 ± 0.0002 Å
• b: 12.5212 ± 0.0002 Å
• c: 17.4375 ± 0.0003 Å
• α: 90°
• β: 100.04 ± 0.001°
• γ: 90°
• Cell volume: 2591.03 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No