Information card for entry 7222293

Structure parameters

• Formula: C34 H25 N3 O6
• Calculated formula: C34 H25 N3 O6
• SMILES: C1(=O)c2ccccc2C(=O)C21C(C#N)(C#N)C(/C=C/c1cc(C)ccc1)N(c1ccccc1)C(=C2C(=O)OC)C(=O)OC
• Title of publication: Efficient synthesis of functionalized spiro[indoline-3,4'-pyridines] and spiro[indene-2,4'-pyridines] via three-component reaction
• Authors of publication: Zhang, Jing; Sun, Jing; Yan, Chao Guo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.963 ± 0.002 Å
• b: 12.057 ± 0.003 Å
• c: 12.362 ± 0.003 Å
• α: 83.195 ± 0.008°
• β: 66.986 ± 0.007°
• γ: 81.841 ± 0.007°
• Cell volume: 1485.2 ± 0.6 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: 0.1735
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No