Information card for entry 4513555

Structure parameters

• Common name: 4
• Formula: C15 H12 O6
• Calculated formula: C15 H12 O6
• SMILES: O.Oc1c(O)c2c(oc(c3ccccc3)cc2=O)cc1O
• Title of publication: Insight into the Phase Transformation among Various Solid Forms of Baicalein
• Authors of publication: Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4959
• a: 3.7722 ± 0.0018 Å
• b: 19.907 ± 0.009 Å
• c: 16.748 ± 0.009 Å
• α: 90°
• β: 95.43 ± 0.04°
• γ: 90°
• Cell volume: 1252 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No