Information card for entry 7240607

Structure parameters

• Formula: C121 H209 N O6
• Calculated formula: C121 H209 N O6
• Title of publication: Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions
• Authors of publication: Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.581 ± 0.002 Å
• b: 9.702 ± 0.003 Å
• c: 36.973 ± 0.009 Å
• α: 82.962 ± 0.005°
• β: 86.112 ± 0.005°
• γ: 89.74 ± 0.005°
• Cell volume: 2692.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No