Information card for entry 7121697

Structure parameters

• Formula: C33 H26 B2 Cl2 N2
• Calculated formula: C33 H26 B2 Cl2 N2
• Title of publication: Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.
• Authors of publication: Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8178 - 8181
• a: 7.742 ± 0.002 Å
• b: 14.293 ± 0.005 Å
• c: 25.54 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2826.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1952
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.3313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No