Information card for entry 7218782

Structure parameters

• Chemical name: (R)-1-benzyl-3-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)indolin-2-one
• Formula: C23 H21 N O5
• Calculated formula: C23 H21 N O5
• SMILES: COc1c(cc([C@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)O)c(c1)O)OC
• Title of publication: Cinchonidine thiourea catalyzed asymmetric addition of phenols to oxindole derivatives
• Authors of publication: Kaur, Jasneet; Kumar, Akshay; Chimni, Swapandeep Singh
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 107
• Pages of publication: 62367
• a: 8.4183 ± 0.0014 Å
• b: 12.2957 ± 0.0019 Å
• c: 9.3671 ± 0.0016 Å
• α: 90°
• β: 97.016 ± 0.006°
• γ: 90°
• Cell volume: 962.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0965
• 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