Information card for entry 2108557

Structure parameters

• Formula: C38 H32 N4 O3
• Calculated formula: C38 H32 N4 O3
• Title of publication: Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals
• Authors of publication: Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 8.9669 ± 0.0016 Å
• b: 36.365 ± 0.006 Å
• c: 9.6042 ± 0.0019 Å
• α: 90°
• β: 94.898 ± 0.006°
• γ: 90°
• Cell volume: 3120.3 ± 1 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes