Information card for entry 7212998

Structure parameters

• Formula: C32 H44 O8
• Calculated formula: C32 H44 O8
• SMILES: [C@]12(CCC[C@@](C2)(O)CCOc2cc(OCC[C@]3(C[C@@](CCC3)(O)CCOc3cc(OCC1)ccc3)O)ccc2)O
• Title of publication: Synthesis and structure of tetraols with convergent and divergent arrays of hydroxy groups
• Authors of publication: Takagi, Hideki; Hayashi, Takashi; Mizutani, Tadashi; Masuda, Hideki; Ogoshi, Hisanobu
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 1885
• a: 11.727 ± 0.004 Å
• b: 10.915 ± 0.004 Å
• c: 12.109 ± 0.004 Å
• α: 90°
• β: 112.25 ± 0.02°
• γ: 90°
• Cell volume: 1434.5 ± 0.9 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No