Information card for entry 4025402

Structure parameters

• Formula: C35 H30 N2 O2
• Calculated formula: C35 H30 N2 O2
• SMILES: N1(C(=O)C(=C(/C#Cc2ccccc2)c2ccccc2)/c2c1cccc2)C(C(=O)NC(C)(C)C)c1ccccc1
• Title of publication: Six-Component Reactions for the Stereoselective Synthesis of 3-Arylidene-2-oxindoles via Sequential One-Pot Ugi/Heck Carbocyclization/Sonogashira/Nucleophilic Addition
• Authors of publication: Morteza Bararjanian; Saeed Balalaie; Frank Rominger; Barahman Movassagh; Hamid Reza Bijanzadeh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2806 - 2812
• a: 10.483 ± 0.004 Å
• b: 12.555 ± 0.005 Å
• c: 12.698 ± 0.005 Å
• α: 111.777 ± 0.008°
• β: 111.332 ± 0.007°
• γ: 92.411 ± 0.009°
• Cell volume: 1415 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1385
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No