Information card for entry 4037494

Structure parameters

• Formula: C26 H19 N3 O3
• Calculated formula: C26 H19 N3 O3
• SMILES: O(C(=O)c1ccc2n(c3c4c(cccc4NC(=O)c4ncccc4)ccc3)ccc2c1)C
• Title of publication: Copper(II)-Mediated Chelation-Assisted Regioselective N-Naphthylation of Indoles, Pyrazoles and Pyrrole through Dehydrogenative Cross-Coupling.
• Authors of publication: Pradhan, Sourav; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 4883 - 4890
• a: 8.8838 ± 0.0006 Å
• b: 8.9296 ± 0.0011 Å
• c: 13.3506 ± 0.0008 Å
• α: 97.838 ± 0.007°
• β: 98.644 ± 0.005°
• γ: 91.067 ± 0.008°
• Cell volume: 1036.45 ± 0.16 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: 0.063
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No