Information card for entry 1518705

Structure parameters

• Formula: C23 H21 Br N4
• Calculated formula: C23 H21 Br N4
• Title of publication: Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds.
• Authors of publication: Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6228
• a: 13.68 ± 0.004 Å
• b: 17.357 ± 0.006 Å
• c: 8.158 ± 0.002 Å
• α: 90°
• β: 97.15 ± 0.02°
• γ: 90°
• Cell volume: 1922 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1151
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No