Information card for entry 2012975

Structure parameters

• Common name: tmima boric acid
• Chemical name: Tris[(1-methylimidazol-2-yl)methyl]amine boric acid
• Formula: C15 H24 B N7 O3
• Calculated formula: C15 H24 B N7 O3
• SMILES: N(Cc1nccn1C)(Cc1nccn1C)Cc1nccn1C.B(O)(O)O
• Title of publication: Tris[(1-methylimidazol-2-yl)methyl]amine‒boric acid (1/1)
• Authors of publication: Mashuta, Mark S.; Cheruzel, Lionel; Buchanan, Robert M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o629 - o631
• a: 16.2812 ± 0.0017 Å
• b: 10.001 ± 0.001 Å
• c: 12.2564 ± 0.0013 Å
• α: 90°
• β: 110.72 ± 0.02°
• γ: 90°
• Cell volume: 1866.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes