Information card for entry 7203587

Structure parameters

• Common name: 2,3 lutidine succinic acid co-crystal
• Formula: C18 H24 N2 O4
• Calculated formula: C18 H24 N2 O4
• SMILES: C(=O)(CCC(=O)O)O.c1(c(cccn1)C)C.c1(c(cccn1)C)C
• 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: 10.0598 ± 0.0003 Å
• b: 7.3023 ± 0.0003 Å
• c: 12.2512 ± 0.0004 Å
• α: 90°
• β: 97.47 ± 0.002°
• γ: 90°
• Cell volume: 892.33 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No