Information card for entry 7240318

Structure parameters

• Common name: (DL)-malic acid nicotinamide
• Chemical name: (R, S)-2-hydroxysuccinic acid nicotinamide
• Formula: C20 H24 N4 O12
• Calculated formula: C20 H24 N4 O12
• Title of publication: Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals
• Authors of publication: Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 18.629 ± 0.003 Å
• b: 5.2842 ± 0.0008 Å
• c: 22.841 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2248.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No