Information card for entry 7224204

Structure parameters

• Formula: C21 H15 N5 O2
• Calculated formula: C21 H15 N5 O2
• SMILES: O1c2n(nc(c2C2(C(=O)Nc3c2cccc3)C(=C1N)C#N)C)c1ccccc1
• Title of publication: Nano-FGT: A Green and Sustainable Catalyst for The Synthesis of Spirooxindoles in Aqueous Medium
• Authors of publication: Jamatia, Ramen; Gupta, Ajay; Pal, Amarta Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.0071 ± 0.0013 Å
• b: 22.038 ± 0.003 Å
• c: 8.246 ± 0.0011 Å
• α: 90°
• β: 98.552 ± 0.012°
• γ: 90°
• Cell volume: 1798.3 ± 0.4 ų
• Cell temperature: 291.76 ± 0.1 K
• Ambient diffraction temperature: 291.76 ± 0.1 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: 0.0726
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No