Information card for entry 1555115

Structure parameters

• Formula: C33 H29 Cl N2 O3
• Calculated formula: C33 H29 Cl N2 O3
• Title of publication: Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction
• Authors of publication: Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3530
• a: 17.7343 ± 0.0017 Å
• b: 13.4538 ± 0.0011 Å
• c: 24.68 ± 0.002 Å
• α: 90°
• β: 94.67 ± 0.003°
• γ: 90°
• Cell volume: 5868.9 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1516
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No