Information card for entry 7222052

Structure parameters

• Formula: C22 H19 N5 O
• Calculated formula: C22 H19 N5 O
• SMILES: O=C1N(c2ccccc2C21C(=C(n1c(nc3c1cccc3)C2)N)C#N)CCC
• Title of publication: A novel one-pot multi-component synthesis of 3, 3’disubstituted oxindoles and spirooxindoles scaffold via Sn-catalyzed C(sp3)-H functionalization of azaarenes by sequential Knoevenagel-Michael-Cyclization reaction
• Authors of publication: Mulla, Shafeek Abdul Rashid; Chavan, Santosh S.; Pathan, Mohsinkhan Y.; Thorat, Sridhar Hanamant; Gonnade, Rajesh G.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.3799 ± 0.0012 Å
• b: 13.0555 ± 0.0012 Å
• c: 11.5532 ± 0.0011 Å
• α: 90°
• β: 98.57 ± 0.005°
• γ: 90°
• Cell volume: 1846.4 ± 0.3 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: 0.07
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No