Information card for entry 7156394

Structure parameters

• Formula: C16 H15 Cl O2
• Calculated formula: C16 H15 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: 6.07129 ± 0.00017 Å
• b: 18.3833 ± 0.0005 Å
• c: 12.037 ± 0.0003 Å
• α: 90°
• β: 101.88 ± 0.003°
• γ: 90°
• Cell volume: 1314.68 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No