Information card for entry 2224809

Structure parameters

• Chemical name: 5,7-Bis(benzyloxy)-2-[4-(benzyloxy)phenyl]-4<i>H</i>-chromen-4-one
• Formula: C36 H28 O5
• Calculated formula: C36 H28 O5
• SMILES: c1(cc(cc2c1c(=O)cc(c1ccc(cc1)OCc1ccccc1)o2)OCc1ccccc1)OCc1ccccc1
• Title of publication: 5,7-Bis(benzyloxy)-2-[4-(benzyloxy)phenyl]-4<i>H</i>-chromen-4-one
• Authors of publication: Ren, Xu-Hong; Xie, Wei-Jia; Ma, Chao; Wang, Jing-Jing; Cheng, Mao-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o63
• a: 7.3176 ± 0.0012 Å
• b: 12.818 ± 0.002 Å
• c: 14.933 ± 0.002 Å
• α: 82.542 ± 0.003°
• β: 83.861 ± 0.003°
• γ: 85.6 ± 0.003°
• Cell volume: 1378 ± 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: 0.1184
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes