Information card for entry 1543264

Structure parameters

• Formula: C28 H21 F N2 O4 S
• Calculated formula: C28 H21 F N2 O4 S
• SMILES: S(=O)(=O)(NC(=O)C(=C\1C(=O)N(c2c1cc(F)cc2)CC=C)\C#Cc1ccccc1)c1ccc(C)cc1
• Title of publication: Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.
• Authors of publication: Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2435 - 2438
• a: 10.3056 ± 0.0005 Å
• b: 14.0546 ± 0.0006 Å
• c: 17.9127 ± 0.0009 Å
• α: 90°
• β: 106.449 ± 0.005°
• γ: 90°
• Cell volume: 2488.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No