Information card for entry 1549221

Structure parameters

• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: o1c2ccccc2c2=NC(N(C=c2c1=O)Cc1ccccc1)c1ccccc1
• Title of publication: An unprecedented tandem synthesis of fluorescent coumarin-fused pyrimidines via copper-catalyzed cross-dehydrogenative C(sp³)-N bond coupling.
• Authors of publication: Kumari, Santosh; Shakoor, S. M. Abdul; Khullar, Sadhika; Mandal, Sanjay K.; Sakhuja, Rajeev
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3220 - 3228
• a: 21.348 ± 0.004 Å
• b: 9.871 ± 0.002 Å
• c: 17.745 ± 0.004 Å
• α: 90°
• β: 92.423 ± 0.005°
• γ: 90°
• Cell volume: 3736 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No