Information card for entry 7156393

Structure parameters

• Formula: C18 H19 Cl O2
• Calculated formula: C18 H19 Cl O2
• Title of publication: Palladium-catalyzed cascade carboesterification of norbornene with alkynes.
• Authors of publication: Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 8495 - 8504
• a: 10.9261 ± 0.0003 Å
• b: 10.6284 ± 0.0003 Å
• c: 12.9254 ± 0.0004 Å
• α: 90°
• β: 90.813 ± 0.003°
• γ: 90°
• Cell volume: 1500.84 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No