Information card for entry 7135574

Structure parameters

• Common name: Quinidine Phenprocoumon chloroform solvate
• Formula: C39 H41 Cl3 N2 O5
• Calculated formula: C39 H41 Cl3 N2 O5
• 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: 10.0076 ± 0.0004 Å
• b: 12.1774 ± 0.0005 Å
• c: 29.6416 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3612.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No