Information card for entry 7100399

Structure parameters

• Common name: bis((1-methylimidazol-2-yl)methyl)(1-methyl-4-nitro -imidazol- 2-yl)methyl)amine boric acid
• Formula: C30 H43 B N16 O7
• Calculated formula: C30 H43 B N16 O7
• SMILES: O=N(=O)c1nc(n(c1)C)CN(Cc1n(ccn1)C)Cc1n(ccn1)C.O=N(=O)c1nc(n(c1)C)CN(Cc1n(ccn1)C)Cc1n(ccn1)C.B(O)(O)O
• Title of publication: A supramolecular assembly of side-by-side polyimidazole tripod coils stabilized by ð-ð stacking and unique boric acid templated hydrogen bonding interactions
• Authors of publication: Robert Buchanan; Lionel E. Cheruzel; Mark S. Mashuta
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.7997 ± 0.0018 Å
• b: 8.254 ± 0.0009 Å
• c: 27.53 ± 0.003 Å
• α: 90°
• β: 92.861 ± 0.002°
• γ: 90°
• Cell volume: 3585.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No