Information card for entry 2220159

Structure parameters

• Chemical name: 5,7-Bis(benzyloxy)-2-phenyl-4<i>H</i>-chromen-4-one
• Formula: C29 H22 O4
• Calculated formula: C29 H22 O4
• SMILES: o1c(cc(=O)c2c(cc(cc12)OCc1ccccc1)OCc1ccccc1)c1ccccc1
• Title of publication: 5,7-Bis(benzyloxy)-2-phenyl-4<i>H</i>-chromen-4-one
• Authors of publication: Nallasivam, Angannan; Nethaji, Munirathinam; Vembu, Nagarajan; Jaswant, Buckle; Sulochana, Nagarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2490 - o2491
• a: 9.496 ± 0.003 Å
• b: 11.572 ± 0.003 Å
• c: 11.767 ± 0.003 Å
• α: 66.564 ± 0.004°
• β: 79.668 ± 0.005°
• γ: 73.836 ± 0.005°
• Cell volume: 1136 ± 0.5 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: 0.0912
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes