Information card for entry 7151495

Structure parameters

• Formula: C19 H24.5 N2 O7.5
• Calculated formula: C19 H24.5 N2 O7.5
• Title of publication: Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C-4'-OH groups
• Authors of publication: Lech Kozerski; Bogdan Kamieński; Robert Kawęcki; Zofia Urbanczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Katarzyna Zakrzewska; Kim T. Nielsen; Poul Erik Hansen
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 20
• Pages of publication: 3578 - 3585
• a: 6.822 ± 0.001 Å
• b: 23.501 ± 0.005 Å
• c: 23.73 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3804.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No