Information card for entry 4029293

Structure parameters

• Formula: C11 H19 O2
• Calculated formula: C11 H19 O2
• SMILES: C1CCC[C@H]2[C@@]1([C@H]([C@H](C2)CO)C)O.C1CCC[C@@H]2[C@]1([C@@H]([C@@H](C2)CO)C)O
• Title of publication: Access to Functionalized Bicyclo[4,3,0]nonenes via Palladium-Catalyzed Oxidative Cyclization of 2-Allylcyclohexyl Oximes.
• Authors of publication: Zhu, Jia-Liang; Wu, Sih-Ting; Shie, Jr-Yun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 3623 - 3633
• a: 12.655 ± 0.003 Å
• b: 10.193 ± 0.003 Å
• c: 8.544 ± 0.002 Å
• α: 90°
• β: 102.529 ± 0.006°
• γ: 90°
• Cell volume: 1075.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No