Information card for entry 7135572

Structure parameters

• Common name: Quinidine Phenprocoumon acetonitrile solvate
• Formula: C40 H43 N3 O5
• Calculated formula: C40 H43 N3 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: 12.5022 ± 0.0004 Å
• b: 9.4634 ± 0.0003 Å
• c: 15.5437 ± 0.0004 Å
• α: 90°
• β: 111.466 ± 0.003°
• γ: 90°
• Cell volume: 1711.46 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No