Information card for entry 7203588

Structure parameters

• Common name: 2,4 lutidine fumarate
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N 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: 3.9653 ± 0.0001 Å
• b: 13.7652 ± 0.0004 Å
• c: 20.0488 ± 0.0006 Å
• α: 90°
• β: 91.603 ± 0.001°
• γ: 90°
• Cell volume: 1093.9 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No