Information card for entry 2201192

Structure parameters

• Formula: C26 H32 B2 N2 O4
• Calculated formula: C26 H30.97 B2 N2 O4
• Title of publication: An O-bridged BONBON ring system (phenol adduct)
• Authors of publication: Wolfgang Kliegel; Klaus Drückler; Brian O. Patrick; Steven J. Rettig; James Trotter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o371 - o373
• a: 10.448 ± 0.001 Å
• b: 17.276 ± 0.002 Å
• c: 14.525 ± 0.001 Å
• α: 90°
• β: 109.81 ± 0.01°
• γ: 90°
• Cell volume: 2466.6 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No