Information card for entry 2008369

Structure parameters

• Chemical name: 3,5,7,3'-tetrahydroxy-4'-methoxyflavone monohydrate
• Formula: C16 H14 O8
• Calculated formula: C16 H14 O8
• SMILES: o1c(c(O)c(=O)c2c(O)cc(O)cc12)c1cc(O)c(OC)cc1.O
• Title of publication: Tamarixetin monohydrate
• Authors of publication: Nor Syarmila Shuib; Teng Wah Sam; Keng Chong Wong; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 576 - 578
• a: 7.375 ± 0.0001 Å
• b: 12.53 ± 0.0002 Å
• c: 15.8752 ± 0.0002 Å
• α: 84.095 ± 0.001°
• β: 86.38 ± 0.001°
• γ: 77.933 ± 0.001°
• Cell volume: 1425.67 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No