Information card for entry 7118924

Structure parameters

• Formula: C42 H26 N2
• Calculated formula: C42 H26 N2
• SMILES: N1(c2ccccc2N(c2c1c1c(c3c2cccc3)cccc1)c1ccccc1)c1ccc2c3c1ccc1cccc(c31)cc2
• Title of publication: Cu-catalyzed C-H amination/Ullmann N-arylation domino reaction: a straightforward synthesis of 9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazine.
• Authors of publication: Wang, Huan; Zhang, Zhiyun; Zhou, Haitao; Wang, Tonghai; Su, Jianhua; Tong, Xiaofeng; Tian, He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5459 - 5462
• a: 11.4684 ± 0.0006 Å
• b: 18.005 ± 0.0009 Å
• c: 13.845 ± 0.0007 Å
• α: 90°
• β: 92.989 ± 0.001°
• γ: 90°
• Cell volume: 2854.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No