Information card for entry 7118925

Structure parameters

• Formula: C33 H24 N2
• Calculated formula: C33 H24 N2
• SMILES: N1(c2c3ccccc3c3ccccc3c2N(c2c1cccc2)c1ccccc1)c1ccc(cc1)C
• 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: 13.67 ± 0.002 Å
• b: 10.7087 ± 0.0018 Å
• c: 16.477 ± 0.003 Å
• α: 90°
• β: 98.766 ± 0.004°
• γ: 90°
• Cell volume: 2383.9 ± 0.7 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: 0.1028
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No