Information card for entry 7131392

Structure parameters

• Formula: C11 H18 O2
• Calculated formula: C11 H18 O2
• Title of publication: Skeletal diversification by C-C cleavage to access bicyclic frameworks from a common tricyclooctane intermediate.
• Authors of publication: Bakanas, Ian; Tang, Jess C.; Sarpong, Richmond
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 26
• Pages of publication: 3858 - 3861
• a: 23.5301 ± 0.0003 Å
• b: 23.5301 ± 0.0003 Å
• c: 5.98071 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3311.31 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 102
• Hermann-Mauguin space group symbol: P 42 n m
• Hall space group symbol: P 4n -2n
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No