Information card for entry 7203585

Structure parameters

• Common name: 2,3 lutidine fumarate
• Formula: C15 H17 N O8
• Calculated formula: C15 H17 N O8
• 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: 9.0541 ± 0.0018 Å
• b: 18.159 ± 0.004 Å
• c: 9.7343 ± 0.0019 Å
• α: 90°
• β: 91.2 ± 0.03°
• γ: 90°
• Cell volume: 1600.1 ± 0.6 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: 0.0729
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No