Information card for entry 4036350

Structure parameters

• Formula: C30 H22 B2 N2
• Calculated formula: C30 H22 B2 N2
• Title of publication: Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.
• Authors of publication: Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 10127 - 10133
• a: 10.2963 ± 0.0009 Å
• b: 13.5576 ± 0.0012 Å
• c: 17.0707 ± 0.0014 Å
• α: 104.48 ± 0.003°
• β: 106.81 ± 0.003°
• γ: 90.286 ± 0.003°
• Cell volume: 2201 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No