Information card for entry 1519997

Structure parameters

• Chemical name: Adipic Acid and 2-Methylimidazole
• Formula: C10 H18 N2 O5
• Calculated formula: C10 H18 N2 O5
• Title of publication: 2-Methylimidazolium hemiadipate hemiadipic acid hydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 521
• a: 4.8629 ± 0.0003 Å
• b: 7.9978 ± 0.0005 Å
• c: 16.5263 ± 0.0011 Å
• α: 96.951 ± 0.001°
• β: 94.475 ± 0.001°
• γ: 107.384 ± 0.001°
• Cell volume: 604.44 ± 0.07 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: 0.0573
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No