Information card for entry 2233357

Structure parameters

• Chemical name: 7-Methoxy-3-(4-methoxyphenyl)chroman-4-one
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: C1C(C(=O)c2ccc(cc2O1)OC)c1ccc(cc1)OC
• Title of publication: 7-Methoxy-3-(4-methoxyphenyl)chroman-4-one
• Authors of publication: Peng, Zhi-Yun; Liu, Xiao-Yang; Yang, Ye-Ling; Xiang, Kai-Shuang; Xiao, Zhu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o250
• a: 10.601 ± 0.002 Å
• b: 15.762 ± 0.004 Å
• c: 16.793 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2806 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes