Information card for entry 4125931

Structure parameters

• Common name: ST-6-181
• Formula: C18 H16 Cl F3 O
• Calculated formula: C18 H16 Cl F3 O
• Title of publication: Copper-Catalyzed Dicarbofunctionalization of Unactivated Olefins by Tandem Cyclization/Cross-Coupling.
• Authors of publication: Thapa, Surendra; Basnet, Prakash; Giri, Ramesh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 16
• Pages of publication: 5700 - 5703
• a: 10.8569 ± 0.0003 Å
• b: 7.6285 ± 0.0002 Å
• c: 19.3401 ± 0.0005 Å
• α: 90°
• β: 101.548 ± 0.001°
• γ: 90°
• Cell volume: 1569.36 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No