Information card for entry 2006909

Structure parameters

• Formula: C34 H34 O4
• Calculated formula: C34 H34 O4
• SMILES: OC(c1ccccc1)(c1ccccc1)[C@@H]1OC2(O[C@H]1C(c1ccccc1)(c1ccccc1)O)CCCCC2
• Title of publication: (<i>R</i>,<i>R</i>)-({-})-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane
• Authors of publication: Kazuyoshi Nishikawa; Harumichi Tsukada; Satoshi Abe; Shintaro Misaki; Noritake Yasuoka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 111 - 112
• a: 10.21 ± 0.007 Å
• b: 29.279 ± 0.003 Å
• c: 9.314 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2784 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.1049
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No