Information card for entry 4037607

Structure parameters

• Formula: C26 H16 Cl2 N2 O2
• Calculated formula: C26 H16 Cl2 N2 O2
• SMILES: c1cc(ccc1C(=O)c1c(/N=N/c2c(C(=O)c3ccc(cc3)Cl)cccc2)cccc1)Cl
• Title of publication: Palladium(II)-catalyzed direct regioselectively oxidative acylation of azobenzenes with toluene derivatives.
• Authors of publication: Song, Hongyu; Chen, Dong; Pi, Chao; Cui, Xiuling; Wu, Yangjie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 2955 - 2962
• a: 22.2452 ± 0.0012 Å
• b: 8.0381 ± 0.0005 Å
• c: 12.3549 ± 0.0006 Å
• α: 90°
• β: 98.746 ± 0.005°
• γ: 90°
• Cell volume: 2183.5 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No