Information card for entry 7229414

Structure parameters

• Chemical name: daidzein
• Formula: C15 H10 O4
• Calculated formula: C15 H10 O4
• SMILES: o1c2cc(O)ccc2c(=O)c(c1)c1ccc(O)cc1
• Title of publication: Polymorphs of daidzein and intermolecular interaction effect on solution crystallization
• Authors of publication: Jia, Lina; Xu, Shijie; Liu, Shiyuan; Du, Shichao; Wu, Songgu; Gong, Junbo
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 3.86 ± 0.0008 Å
• b: 11.43 ± 0.002 Å
• c: 25.629 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1130.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No