Information card for entry 7118340

Structure parameters

• Common name: spirooxindole dihydropyranone
• Chemical name: tert-butyl (S)-(2-(1-benzyl-5-bromo-4'-methyl-2,6'-dioxo-3',6'-dihydrospiro[indoline-3,2'-pyran]-5'-yl)phenyl)carbamate
• Formula: C31 H29 Br N2 O5
• Calculated formula: C31 H29 Br N2 O5
• SMILES: Brc1ccc2N(Cc3ccccc3)C(=O)[C@@]3(OC(=O)C(=C(C3)C)c3ccccc3NC(=O)OC(C)(C)C)c2c1
• Title of publication: An asymmetric assembly of spirooxindole dihydropyranones through a direct enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with isatins.
• Authors of publication: Han, Jeng-Liang; Chang, Chia-Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2322 - 2325
• a: 10.6073 ± 0.0004 Å
• b: 9.8229 ± 0.0004 Å
• c: 14.4413 ± 0.0006 Å
• α: 90°
• β: 107.283 ± 0.002°
• γ: 90°
• Cell volume: 1436.76 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No