Information card for entry 7133091

Structure parameters

• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• Title of publication: Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch.
• Authors of publication: Songsermsawad, Sarita; Shemchuk, Oleksii; Robeyns, Koen; Collard, Laurent; Flood, Adrian; Leyssens, Tom
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.405 ± 0.0009 Å
• b: 10.991 ± 0.002 Å
• c: 12.216 ± 0.003 Å
• α: 109.33 ± 0.02°
• β: 91.872 ± 0.012°
• γ: 104.146 ± 0.013°
• Cell volume: 1268.4 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No