Information card for entry 4513706

Structure parameters

• Formula: C23 H30 N2 O7
• Calculated formula: C23 H30 N2 O7
• Title of publication: Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid
• Authors of publication: Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2016
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 307
• a: 10.0451 ± 0.0005 Å
• b: 8.6712 ± 0.0005 Å
• c: 12.9992 ± 0.0007 Å
• α: 90°
• β: 102.513 ± 0.006°
• γ: 90°
• Cell volume: 1105.38 ± 0.11 ų
• Cell temperature: 294.9 ± 0.3 K
• Ambient diffraction temperature: 294.9 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No