Information card for entry 7203595

Structure parameters

• Common name: 3,5 lutidine fumaric acid co-crystal
• Formula: C18 H22 N2 O4
• Calculated formula: C18 H22 N2 O4
• Title of publication: Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study
• Authors of publication: Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 830
• a: 8.2345 ± 0.0016 Å
• b: 16.299 ± 0.003 Å
• c: 6.9681 ± 0.0014 Å
• α: 90°
• β: 108.17 ± 0.03°
• γ: 90°
• Cell volume: 888.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No