Information card for entry 7159115

Structure parameters

• Chemical name: C30H24N4O
• Formula: C30 H24 N4 O
• Calculated formula: C30 H24 N4 O
• SMILES: N(c1c2ncccc2ccc1)C(=O)CC(c1ccc(/N=N/c2ccccc2)cc1)c1ccccc1
• Title of publication: Pd(II)-catalyzed coupling of C-H bonds of carboxamides with iodoazobenzenes toward modified azobenzenes.
• Authors of publication: Suwasia, Sonam; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1793 - 1813
• a: 15.231 ± 0.002 Å
• b: 8.7746 ± 0.001 Å
• c: 18.051 ± 0.003 Å
• α: 90°
• β: 101.917 ± 0.014°
• γ: 90°
• Cell volume: 2360.4 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.3211
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No