Information card for entry 7135576

Structure parameters

• Common name: Quinidine Phenprocoumon ethanol solvate
• Formula: C40 H46 N2 O6
• Calculated formula: C40 H46 N2 O6
• Title of publication: Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.
• Authors of publication: Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 24
• Pages of publication: 6613 - 6616
• a: 12.3135 ± 0.0013 Å
• b: 9.8662 ± 0.001 Å
• c: 15.529 ± 0.002 Å
• α: 90°
• β: 111.669 ± 0.013°
• γ: 90°
• Cell volume: 1753.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1139
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No