Information card for entry 7223941

Structure parameters

• Formula: C21 H20 N2 O3
• Calculated formula: C21 H20 N2 O3
• SMILES: N1c2ccc(cc2C2(N(CC(=C2c2ccccc2)C(=O)OC)C)C1=O)C
• Title of publication: Combinatorial Synthesis of Spiro[indoline-3,2'-pyrrole] Derivatives via a Three-component Reaction under Catalyst-free Conditions
• Authors of publication: Shang, Yongjia; Shi, Guanghao; He, Xinwei; Xie, Meihua
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.9571 ± 0.001 Å
• b: 9.0882 ± 0.0008 Å
• c: 14.8304 ± 0.0012 Å
• α: 90°
• β: 92.225 ± 0.002°
• γ: 90°
• Cell volume: 1745.1 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No