Information card for entry 2009178

Structure parameters

• Formula: C34 H34 O4
• Calculated formula: C34 H34 O4
• SMILES: OC(c1ccccc1)(c1ccccc1)[C@@H]1OC2(O[C@H]1C(O)(c1ccccc1)c1ccccc1)CCCCC2
• Title of publication: A triclinic polymorph of (<i>R</i>,<i>R</i>)-(‒)-<i>trans</i>-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)
• Authors of publication: Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: IUC9900132
• a: 9.986 ± 0.001 Å
• b: 14.823 ± 0.002 Å
• c: 9.514 ± 0.001 Å
• α: 98.24 ± 0.01°
• β: 91.32 ± 0.01°
• γ: 80.49 ± 0.01°
• Cell volume: 1374.6 ± 0.3 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No