Information card for entry 7124154

Structure parameters

• Formula: C25 H20 Cl N3 O
• Calculated formula: C25 H20 Cl N3 O
• Title of publication: Catalyst-Free Cyclization of Anthranils and Cyclic Amines: One-step Synthesis of Rutaecarpine
• Authors of publication: Li, Jian; wang, zheng-bing; xu, yue; lu, xue-chen; zhu, shang-rong; Liu, Li
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 31.8664 ± 0.0015 Å
• b: 8.9719 ± 0.0005 Å
• c: 16.6944 ± 0.0008 Å
• α: 90°
• β: 110.086 ± 0.002°
• γ: 90°
• Cell volume: 4482.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No