Information card for entry 7238034

Structure parameters

• Chemical name: C33H31BN2O3
• Formula: C33 H29 B N2 O3
• Calculated formula: C33 H29 B N2 O3
• Title of publication: Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence
• Authors of publication: Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 44
• Pages of publication: 13759
• a: 28.0786 ± 0.0007 Å
• b: 9.9927 ± 0.0002 Å
• c: 20.671 ± 0.0004 Å
• α: 90°
• β: 104.841 ± 0.002°
• γ: 90°
• Cell volume: 5606.4 ± 0.2 ų
• Cell temperature: 292.6 ± 0.6 K
• Ambient diffraction temperature: 292.6 ± 0.6 K
• Number of distinct elements: 5
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2603
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No