Information card for entry 7010980

Structure parameters

• Formula: C20 H28 B2 N4
• Calculated formula: C20 H28 B2 N4
• SMILES: B1(N(C=c2ccccn12)C(C)(C)C)B1N(C=c2ccccn12)C(C)(C)C
• Title of publication: Alkali metal reduction of 2-halogeno- and 2-thiolato-2,3-dihydro-1H-1,3,2-diazaboroles
• Authors of publication: Weber, Lothar; Schnieder, Markus; Lönnecke, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3459
• a: 18.582 ± 0.005 Å
• b: 6.952 ± 0.002 Å
• c: 15.511 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2003.7 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No