Information card for entry 1547885

Structure parameters

• Formula: C24 H21 N O4
• Calculated formula: C24 H21 N O4
• SMILES: c1ccccc1CN1c2ccccc2[C@H](C1=O)[C@](c1ccccc1)(C(=O)OC)O.c1ccccc1CN1c2ccccc2[C@@H](C1=O)[C@@](c1ccccc1)(C(=O)OC)O
• Title of publication: Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.
• Authors of publication: Liu, Kai; Xu, Guangyang; Sun, Jiangtao
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 634 - 639
• a: 23.476 ± 0.003 Å
• b: 10.1603 ± 0.0016 Å
• c: 18.561 ± 0.003 Å
• α: 90°
• β: 118.836 ± 0.005°
• γ: 90°
• Cell volume: 3878.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No