Information card for entry 1503475

Structure parameters

• Formula: C23 H16 N2
• Calculated formula: C23 H16 N2
• SMILES: n1c2c([nH]c3c2cccc3)cc(c1c1ccccc1)c1ccccc1
• Title of publication: Synthesis of δ-carbolines via a Pd-catalyzed sequential reaction from 2-iodoanilines and N-tosyl-enynamines.
• Authors of publication: Cao, Jian; Xu, Yongping; Kong, Yulong; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai; Deng, Yuan; Lai, Guoqiao
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 38 - 41
• a: 11.3832 ± 0.0006 Å
• b: 11.7346 ± 0.0006 Å
• c: 13.7133 ± 0.0007 Å
• α: 84.235 ± 0.001°
• β: 73.974 ± 0.001°
• γ: 80.192 ± 0.001°
• Cell volume: 1732.1 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No