Information card for entry 7124155

Structure parameters

• Formula: C24 H20 Br Cl N2 O2
• Calculated formula: C24 H20 Br Cl N2 O2
• 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: 11.4651 ± 0.0006 Å
• b: 10.571 ± 0.0005 Å
• c: 17.7266 ± 0.0009 Å
• α: 90°
• β: 105.48 ± 0.002°
• γ: 90°
• Cell volume: 2070.48 ± 0.18 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No