Information card for entry 7201443

Structure parameters

• Formula: C9 H10 N6 O4
• Calculated formula: C9 H10 N6 O4
• SMILES: n1(c[n+](cc1)CC(=O)N)c1ncccn1.N(=O)(=O)[O-]
• Title of publication: Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts
• Authors of publication: Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2804
• a: 13.887 ± 0.0004 Å
• b: 7.1595 ± 0.0002 Å
• c: 11.3891 ± 0.0004 Å
• α: 90°
• β: 99.505 ± 0.001°
• γ: 90°
• Cell volume: 1116.8 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No