Information card for entry 2207192

Structure parameters

• Common name: 5,7-dimethoxyflavone chloroform solvate
• Chemical name: 5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one chloroform solvate
• Formula: C18 H15 Cl3 O4
• Calculated formula: C18 H15 Cl3 O4
• SMILES: ClC(Cl)Cl.o1c2cc(OC)cc(OC)c2c(=O)cc1c1ccccc1
• Title of publication: 5,7-Dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one chloroform solvate
• Authors of publication: Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3927 - o3929
• a: 13.4036 ± 0.0003 Å
• b: 18.8997 ± 0.0005 Å
• c: 7.1512 ± 0.0002 Å
• α: 90°
• β: 99.675 ± 0.001°
• γ: 90°
• Cell volume: 1785.8 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes