Information card for entry 2207990

Structure parameters

• Chemical name: 5,7-bis(benzyloxy)-4H-benzopyran-4-one
• Formula: C23 H18 O4
• Calculated formula: C23 H18 O4
• SMILES: c1cc(=O)c2c(cc(cc2o1)OCc1ccccc1)OCc1ccccc1
• Title of publication: 5,7-Bis(benzyloxy)-4<i>H</i>-benzopyran-4-one
• Authors of publication: Zhi-Fang Hao; Qiang Xu; Zhi-Feng Lu; Jian-Xin Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o552 - o554
• a: 9.251 ± 0.001 Å
• b: 13.493 ± 0.002 Å
• c: 14.785 ± 0.002 Å
• α: 92.881 ± 0.002°
• β: 95.48 ± 0.002°
• γ: 90.096 ± 0.002°
• Cell volume: 1834.7 ± 0.4 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: 0.0812
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes