Information card for entry 4126651

Structure parameters

• Formula: C24 H21 B2 N
• Calculated formula: C24 H21 B2 N
• SMILES: B1(c2ccccc2)N2c3c(cccc3C(=C1)C)C(=CB2c1ccccc1)C
• Title of publication: B-N-B Bond Embedded Phenalenyl and Its Anions.
• Authors of publication: Wei, Haipeng; Liu, Yulan; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Huang, Xiaobo; Bao, Lipiao; Guo, Jing; Zhou, Jun; Luo, Shenglian; Wu, Jishan; Zeng, Zebing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.212 ± 0.002 Å
• b: 17.691 ± 0.004 Å
• c: 9.3962 ± 0.0013 Å
• α: 90°
• β: 112.471 ± 0.002°
• γ: 90°
• Cell volume: 1875.8 ± 0.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0564
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No