Information card for entry 1549952

Structure parameters

• Chemical name: 6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4H-chromen-4-one
• Formula: C21 H16 O4
• Calculated formula: C21 H16 O4
• SMILES: C1(=O)C=C(Oc2ccc(cc12)OC)c1c(ccc2ccccc12)OC
• Title of publication: 6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4<i>H</i>-chromen-4-one
• Authors of publication: Sung, Jiha
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: x181277
• a: 7.9937 ± 0.0005 Å
• b: 9.3819 ± 0.0006 Å
• c: 12.2131 ± 0.0008 Å
• α: 72.552 ± 0.003°
• β: 86.895 ± 0.003°
• γ: 67.288 ± 0.003°
• Cell volume: 804.06 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1448
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes