Information card for entry 7129701

Structure parameters

• Formula: C50 H32 N2
• Calculated formula: C50 H32 N2
• SMILES: n1c2c3ccccc3[C@H](c2c(c2c1cc1nc3c(c(c4ccccc4)c1c2)[C@@H](c1c3cccc1)c1ccccc1)c1ccccc1)c1ccccc1.n1c2c3ccccc3[C@@H](c2c(c2c1cc1nc3c(c(c4ccccc4)c1c2)[C@H](c1c3cccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Development of Anthrazoline Photocatalyst for Promoting Amination and Amidation Reactions
• Authors of publication: Wang, Danfeng; Huang, Hai; Zhu, Xiaolin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.501 ± 0.006 Å
• b: 21.209 ± 0.009 Å
• c: 13.563 ± 0.006 Å
• α: 90°
• β: 98.118 ± 0.014°
• γ: 90°
• Cell volume: 3560 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No