Information card for entry 1520247

Structure parameters

• Chemical name: Suberic acid & imidazole
• Formula: C30 H50 N4 O12
• Calculated formula: C30 H50 N4 O12
• SMILES: C(=O)(CCCCCCC(=O)[O-])O.c1[nH]cc[nH+]1.C(=O)(CCCCCCC(=O)O)[O-].c1[nH]cc[nH+]1.C(=O)(CCCCCCC(=O)O)O
• Title of publication: Imidazolium suberate bis-suberic acid
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 457
• a: 8.7148 ± 0.0003 Å
• b: 11.4826 ± 0.0003 Å
• c: 16.9691 ± 0.0005 Å
• α: 81.721 ± 0.002°
• β: 81.814 ± 0.002°
• γ: 77.987 ± 0.002°
• Cell volume: 1632.45 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No