Information card for entry 4029299

Structure parameters

• Formula: C34 H30 N2 O9
• Calculated formula: C34 H30 N2 O9
• SMILES: c1ccccc1CN1C(=O)C2(c3ccccc13)C(=C(C(=C(C(=O)OC)N2c1ccc(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: 9.046 ± 0.0008 Å
• b: 11.3528 ± 0.0009 Å
• c: 30.038 ± 0.002 Å
• α: 90°
• β: 98.656 ± 0.003°
• γ: 90°
• Cell volume: 3049.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2407
• Residual factor for significantly intense reflections: 0.1671
• Weighted residual factors for significantly intense reflections: 0.3227
• Weighted residual factors for all reflections included in the refinement: 0.3552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No