Information card for entry 7050575

Structure parameters

• Common name: Baicalein
• Formula: C15 H10 O5
• Calculated formula: C15 H10 O5
• Title of publication: The electron density in flavones I. Baicalein
• Authors of publication: David E. Hibbs; Jacob Overgaard; Carlo Gatti; Trevor W. Hambley
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 1392 - 1398
• a: 7.7707 ± 0.0005 Å
• b: 13.2573 ± 0.0008 Å
• c: 11.5427 ± 0.0007 Å
• α: 90°
• β: 101.027 ± 0.001°
• γ: 90°
• Cell volume: 1167.16 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.169
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 2.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No