Information card for entry 7226059

Structure parameters

• Chemical name: [3-cyano-4-(2-oxo-3aH-indol-3-yl)-4a, 8a-dihydrochromen-2-yl] amine; [3-cyano-4-(2-oxo-dihydro-1$l^{2}-indol-3-yl)-4a,8a-dihydro-1$l^{3}-benzopyran-2-yl]amine
• Formula: C18 H13 N3 O2
• Calculated formula: C18 H13 N3 O2
• Title of publication: Green Chemistry Oriented Multi-Component Strategy to Hybrid Heterocycle
• Authors of publication: B, Rajarathinam; Kandhasamy, kumaravel; Gnanasambandam, Vasuki
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.5876 ± 0.0004 Å
• b: 12.4088 ± 0.0005 Å
• c: 12.5358 ± 0.0005 Å
• α: 68.982 ± 0.004°
• β: 84.668 ± 0.003°
• γ: 88.342 ± 0.003°
• Cell volume: 1530.7 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No