Information card for entry 7109980

Structure parameters

• Formula: C16 H20 B2 N4
• Calculated formula: C16 H20 B2 N4
• SMILES: B12N(C)c3c(cccc3)N(B2N(c2c(N1C)cccc2)C)C
• Title of publication: A polycyclic borazine radical cation: [1,2-B2{1,2-(MeN)2C6H4}2]^.+^
• Authors of publication: Xiaochen Xie; Christopher J. Adams; Muhsen A. M. Al-Ibadi; John E. McGrady; Nicholas C. Norman; Christopher A. Russell
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10364
• a: 10.1884 ± 0.0004 Å
• b: 7.2885 ± 0.0003 Å
• c: 9.9017 ± 0.0004 Å
• α: 90°
• β: 96.65 ± 0.002°
• γ: 90°
• Cell volume: 730.34 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No