Information card for entry 1520208

Structure parameters

• Chemical name: Suberic acid & 2-methylimidazole
• Formula: C12 H20 N2 O4
• Calculated formula: C12 H20 N2 O4
• SMILES: [O-]C(=O)CCCCCCC(=O)O.[nH]1c([nH+]cc1)C
• Title of publication: 2-Methylimidazolium suberate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 458
• a: 7.3683 ± 0.0004 Å
• b: 9.0497 ± 0.0003 Å
• c: 10.7486 ± 0.0005 Å
• α: 76.546 ± 0.003°
• β: 80.396 ± 0.002°
• γ: 76.933 ± 0.003°
• Cell volume: 674.05 ± 0.05 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: 0.1074
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No