Information card for entry 7242309

Structure parameters

• Common name: BHDB
• Chemical name: 5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl
• Formula: C27 H26.5 O6.25
• Calculated formula: C27 H26.5 O6.25
• Title of publication: Interplay between the crystal stability and the energy of the molecular conformation
• Authors of publication: Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 2683 - 2694
• a: 10.4718 ± 0.0006 Å
• b: 10.6341 ± 0.0005 Å
• c: 11.1086 ± 0.0006 Å
• α: 80.52 ± 0.004°
• β: 82.65 ± 0.005°
• γ: 83.754 ± 0.005°
• Cell volume: 1205.24 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No