Information card for entry 4500742

Structure parameters

• Formula: C24 H22 N4 O8
• Calculated formula: C24 H22 N4 O8
• SMILES: c1(ccc(cc1)c1ccc(cc1)Cn1c[n+](cc1)CC(=O)[O-])Cn1c[n+](cc1)CC(=O)[O-].O.O.O.O
• Title of publication: Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors
• Authors of publication: Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3698
• a: 7.166 ± 0.002 Å
• b: 16.621 ± 0.005 Å
• c: 10.8 ± 0.004 Å
• α: 90°
• β: 107.616 ± 0.004°
• γ: 90°
• Cell volume: 1226 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No