Information card for entry 7238035

Structure parameters

• Formula: C37 H37 B N2 O2
• Calculated formula: C37 H37 B N2 O2
• 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: 10.253 ± 0.0019 Å
• b: 10.807 ± 0.002 Å
• c: 14.406 ± 0.003 Å
• α: 77.441 ± 0.003°
• β: 89.437 ± 0.003°
• γ: 80.778 ± 0.003°
• Cell volume: 1537.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No