Information card for entry 2005795

Structure parameters

• Chemical name: 1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole
• Formula: C14 H18 B2 N4
• Calculated formula: C14 H18 B2 N4
• SMILES: CNN1B(NN(B1c1ccccc1)C)c1ccccc1
• Title of publication: An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks
• Authors of publication: Engelhardt, U.; Park, S. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3248 - 3250
• a: 21.86 ± 0.02 Å
• b: 12.48 ± 0.02 Å
• c: 11.047 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3014 ± 6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections: 0.197
• Weighted residual factors for significantly intense reflections: 0.03
• Goodness-of-fit parameter for all reflections: 1.38
• Goodness-of-fit parameter for significantly intense reflections: 1.99
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No