Information card for entry 2200895

Structure parameters

• Common name: Cirsimaritin
• Chemical name: (5,4'-Dihydroxy-6,7-dimethoxyflavone)
• Formula: C17 H14 O6
• Calculated formula: C17 H14 O6
• SMILES: o1c(cc(=O)c2c(O)c(OC)c(OC)cc12)c1ccc(O)cc1
• Title of publication: Cirsimaritin
• Authors of publication: Chou, Nancy Hieu-Hong; Parvez, Masood; Ali, Muhammad Shaiq; Ahmed, Shakeel; Ahmed, Waqar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o285 - o287
• a: 8.3669 ± 0.0002 Å
• b: 13.5769 ± 0.0004 Å
• c: 25.2554 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2868.93 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.086
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes