Information card for entry 7223480

Structure parameters

• Chemical name: 3-hydroxy-5-methoxy-3-(2-oxocyclohexyl)indolin-2-one
• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: O=C1[C@](c2c(ccc(c2)OC)N1)([C@@H]1CCCCC1=O)O.O=C1[C@@](c2c(ccc(c2)OC)N1)([C@H]1CCCCC1=O)O
• Title of publication: Ru(III) ‒catalyzed α-cross-coupling aldol type addition reaction of activated olefins with isatins
• Authors of publication: Meshram, Harshadas Mitaram; A., Sanjeeva Kumar; Ramesh, Palakuri; G., Santosh Kumar; Alladi, Swetha
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.526 ± 0.0007 Å
• b: 15.1059 ± 0.0014 Å
• c: 24.11 ± 0.002 Å
• α: 90°
• β: 96.277 ± 0.002°
• γ: 90°
• Cell volume: 2724.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No