Information card for entry 1543263

Structure parameters

• Formula: C28 H22 N2 O4 S
• Calculated formula: C28 H22 N2 O4 S
• SMILES: S(=O)(=O)(N=C1OC(c2ccccc2)=CC1=C1C(=O)N(c2c1cccc2)CC=C)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: 9.8063 ± 0.0008 Å
• b: 11.6743 ± 0.0008 Å
• c: 12.6069 ± 0.0007 Å
• α: 117.544 ± 0.006°
• β: 101.784 ± 0.006°
• γ: 99.146 ± 0.007°
• Cell volume: 1198.13 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No