Information card for entry 4513707

Structure parameters

• Formula: C23 H30 N2 O7
• Calculated formula: C23 H30 N2 O7
• SMILES: N1(CC(=O)N2[C@@H](C1)c1c(CC2)cccc1)C(=O)C1CCCCC1.O=C(O)[C@@H](O)CC(=O)O
• 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: 10.6543 ± 0.001 Å
• b: 8.4144 ± 0.0007 Å
• c: 13.5321 ± 0.0011 Å
• α: 90°
• β: 112.765 ± 0.01°
• γ: 90°
• Cell volume: 1118.64 ± 0.19 ų
• Cell temperature: 294.8 ± 0.3 K
• Ambient diffraction temperature: 294.8 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No