Information card for entry 1543262

Structure parameters

• Formula: C26 H24 N2 O5 S
• Calculated formula: C26 H24 N2 O5 S
• SMILES: S(=O)(=O)(NC(=O)[C@@H]([C@@]1(O)c2ccccc2N(C1=O)CC=C)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(NC(=O)[C@H]([C@]1(O)c2ccccc2N(C1=O)CC=C)c1ccccc1)c1ccc(cc1)C
• 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: 12.8999 ± 0.0002 Å
• b: 8.74 ± 0.00016 Å
• c: 20.7336 ± 0.0004 Å
• α: 90°
• β: 92.1223 ± 0.0015°
• γ: 90°
• Cell volume: 2336.01 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No