Information card for entry 1558053

Structure parameters

• Chemical name: bis-(1H-benzimidazol-2-yl)-methane methanol solvate
• Formula: C31 H28 N8 O
• Calculated formula: C31 H28 N8 O
• Title of publication: Metaelectric multiphase transitions in a highly polarizable molecular crystal.
• Authors of publication: Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6183 - 6192
• a: 22.088 ± 0.003 Å
• b: 5.586 ± 0.0007 Å
• c: 24.017 ± 0.003 Å
• α: 90°
• β: 115.257 ± 0.003°
• γ: 90°
• Cell volume: 2680 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No