Information card for entry 7223254

Structure parameters

• Chemical name: 8-cyclopropyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol
• Formula: C12 H20 O4
• Calculated formula: C12 H20 O4
• SMILES: C1(CC1)[C@@]1(O)OOC2(CCCC2)[C@@](C1)(O)C
• 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: 5.8134 ± 0.0004 Å
• b: 10.7208 ± 0.0007 Å
• c: 19.8086 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.56 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No