Information card for entry 7155121

Structure parameters

• Formula: C34 H33 N3 O8
• Calculated formula: C34 H33 N3 O8
• SMILES: CN1C(=O)[C@]2(c3c1cccc3)[C@]1([C@@H]([C@@H](C(=O)OCC)N2C(=O)OCc2ccccc2)C(=O)OCC)C(=O)N(c2c1cccc2)C.CN1C(=O)[C@@]2(c3c1cccc3)[C@@]1([C@H]([C@H](C(=O)OCC)N2C(=O)OCc2ccccc2)C(=O)OCC)C(=O)N(c2c1cccc2)C
• Title of publication: Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.
• Authors of publication: Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 5224 - 5228
• a: 9.1206 ± 0.0007 Å
• b: 12.5475 ± 0.0009 Å
• c: 15.2318 ± 0.0011 Å
• α: 103.415 ± 0.001°
• β: 99.625 ± 0.001°
• γ: 110.111 ± 0.001°
• Cell volume: 1532.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No