Information card for entry 7006873

Structure parameters

• Formula: C14 H24 B2 N4
• Calculated formula: C14 H24 B2 N4
• SMILES: B1(c2cccc(c2)B2N(CCN2C)C)N(CCN1C)C
• Title of publication: Syntheses, structures, luminescence and electrochemistry of benzene- and biphenyl-centered bis- and tris-1,3,2-diazaboroles and -1,3,2-diazaborolidines.
• Authors of publication: Weber, Lothar; Domke, Imme; Schmidt, Christian; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2127 - 2132
• a: 15.307 ± 0.0003 Å
• b: 6.96 ± 0.0002 Å
• c: 14.778 ± 0.0003 Å
• α: 90°
• β: 101.052 ± 0.0015°
• γ: 90°
• Cell volume: 1545.2 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No