Information card for entry 4029300

Structure parameters

• Formula: C38 H38 N2 O9
• Calculated formula: C38 H38 N2 O9
• SMILES: c1ccccc1CN1C(=O)C2(c3cc(C)ccc13)C(=C(C(=C(C(=O)OC)N2c1ccc(C(C)(C)C)cc1)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.
• Authors of publication: Gao, Hong; Sun, Jing; Yan, Chao-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 4131 - 4136
• a: 10.2438 ± 0.0011 Å
• b: 13.8664 ± 0.0015 Å
• c: 14.1071 ± 0.0015 Å
• α: 105.457 ± 0.003°
• β: 108.034 ± 0.003°
• γ: 98.027 ± 0.004°
• Cell volume: 1781.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1462
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No