Information card for entry 1547884

Structure parameters

• Formula: C25 H23 N O4
• Calculated formula: C25 H23 N O4
• SMILES: O=C1N(Cc2ccccc2)c2c([C@@H]1[C@@](O)(c1ccccc1)C(=O)OC)ccc(c2)C.O=C1N(Cc2ccccc2)c2c([C@H]1[C@](O)(c1ccccc1)C(=O)OC)ccc(c2)C
• 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: 10.5469 ± 0.0018 Å
• b: 20.177 ± 0.003 Å
• c: 10.7298 ± 0.0017 Å
• α: 90°
• β: 114.01 ± 0.004°
• γ: 90°
• Cell volume: 2085.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No