Information card for entry 7223253

Structure parameters

• Chemical name: 8-isobutyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol
• Formula: C13 H24 O4
• Calculated formula: C13 H24 O4
• Title of publication: Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen
• Authors of publication: Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.8267 ± 0.0003 Å
• b: 11.0347 ± 0.0005 Å
• c: 21.6517 ± 0.0014 Å
• α: 90°
• β: 97.322 ± 0.005°
• γ: 90°
• Cell volume: 1380.76 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No