Information card for entry 8107129

Structure parameters

• Formula: C37 H32 O6
• Calculated formula: C37 H32 O6
• SMILES: c1(c(cc(c(c1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)O)C(=O)/C=C/c1ccc(cc1)OC
• Title of publication: Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6
• Authors of publication: Kuo, Chen-Miao; Hill, Tania N.; Bezuidenhoudt, Barend C. B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1155 - 1157
• a: 5.5354 ± 0.0007 Å
• b: 16.983 ± 0.002 Å
• c: 31.211 ± 0.004 Å
• α: 90°
• β: 91.535 ± 0.008°
• γ: 90°
• Cell volume: 2933 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.181
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No