Information card for entry 7155159

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• Title of publication: Scalable procedure for the fragmentation of hydroperoxides mediated by copper and iron tetrafluoroborate salts.
• Authors of publication: Huang, David; Schuppe, Alexander W.; Liang, Michael Z.; Newhouse, Timothy R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 6197 - 6200
• a: 7.49844 ± 0.00012 Å
• b: 10.97341 ± 0.00019 Å
• c: 16.2847 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.96 ± 0.04 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No