Information card for entry 4029301

Structure parameters

• Formula: C27 H24 N2 O10
• Calculated formula: C27 H24 N2 O10
• SMILES: C1(=O)C2(c3ccccc3N1)C(=C(C(=O)OC)N(C(=C2C(=O)OC)C(=O)OC)c1ccc(cc1)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: 11.2385 ± 0.0018 Å
• b: 11.278 ± 0.0019 Å
• c: 11.737 ± 0.002 Å
• α: 113.393 ± 0.005°
• β: 92.165 ± 0.005°
• γ: 102.263 ± 0.004°
• Cell volume: 1321.8 ± 0.4 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: 0.137
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2954
• Weighted residual factors for all reflections included in the refinement: 0.3116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No