Information card for entry 7224950

Structure parameters

• Chemical name: (R)-tert-butyl 4-chloro-2-oxo-3-((S)-2-oxo-1-(10-oxo-9,10-dihydroanthracen-9-yl) -2-phenylethyl)indoline-1-carboxylate
• Formula: C35 H28 Cl N O5
• Calculated formula: C35 H28 Cl N O5
• SMILES: Clc1c2[C@H](C(=O)N(c2ccc1)C(=O)OC(C)(C)C)[C@H](C1c2ccccc2C(=O)c2c1cccc2)C(=O)c1ccccc1.Clc1c2[C@@H](C(=O)N(c2ccc1)C(=O)OC(C)(C)C)[C@@H](C1c2ccccc2C(=O)c2c1cccc2)C(=O)c1ccccc1
• Title of publication: Bifunctional thiourea catalyzed asymmetric Michael addition of anthrone to methyleneindolinones
• Authors of publication: Zhao, Huaili; Xiao, Mingyan; Xu, Lubin; Wang, Liang; Xiao, Jian
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 45
• Pages of publication: 38558
• a: 14.9648 ± 0.0006 Å
• b: 9.7262 ± 0.0004 Å
• c: 20.3605 ± 0.0008 Å
• α: 90°
• β: 99.0019 ± 0.0012°
• γ: 90°
• Cell volume: 2927 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1305
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2548
• Weighted residual factors for all reflections included in the refinement: 0.3042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No