Information card for entry 2236512

Structure parameters

• Chemical name: 1-(3-Benzyl-4,6-dibenzyloxy-2-hydroxyphenyl)ethanone
• Formula: C29 H26 O4
• Calculated formula: C29 H26 O4
• SMILES: c1(c(c(cc(c1Cc1ccccc1)OCc1ccccc1)OCc1ccccc1)C(=O)C)O
• Title of publication: 1-(3-Benzyl-4,6-dibenzyloxy-2-hydroxyphenyl)ethanone
• Authors of publication: Hill, Tania N.; Kuo, C.-M.; Bezuidenhoudt, Barend C. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2863
• a: 8.2349 ± 0.0005 Å
• b: 10.5411 ± 0.0007 Å
• c: 13.5115 ± 0.0009 Å
• α: 93.412 ± 0.003°
• β: 94.139 ± 0.003°
• γ: 105.102 ± 0.003°
• Cell volume: 1125.66 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes