Information card for entry 7229164

Structure parameters

• Formula: C48 H56 N2 O12
• Calculated formula: C48 H56 N2 O12
• SMILES: O.O1COc2c1cc(/C=C/C=C/C(=O)N1CCCCC1)cc2.O.O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.O1c2c(cc(/C=C/C=C/C(=O)N3CCCCC3)cc2)OC1
• Title of publication: Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals
• Authors of publication: He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 21.6976 ± 0.0007 Å
• b: 7.7355 ± 0.0003 Å
• c: 26.0438 ± 0.0009 Å
• α: 90°
• β: 93.278 ± 0.002°
• γ: 90°
• Cell volume: 4364.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1819
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No