Information card for entry 7159892

Structure parameters

• Formula: C34 H29 Cl N2 O
• Calculated formula: C34 H29 Cl N2 O
• SMILES: Clc1ccc2nc(c(c(c2c1)c1ccccc1)c1nc2c(c(c1)c1ccc(cc1)C)C(=O)CC(C2)(C)C)C
• Title of publication: Copper-catalyzed dehydrogenative cyclization/alkenylation towards dihydroquinolinones.
• Authors of publication: Pari, Keerthana; Fazlur-Rahman, Nawaz Khan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 4163 - 4171
• a: 13.672 ± 0.0011 Å
• b: 11.8313 ± 0.0009 Å
• c: 17.7342 ± 0.0012 Å
• α: 90°
• β: 103.345 ± 0.003°
• γ: 90°
• Cell volume: 2791.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No