Information card for entry 7152143

Structure parameters

• Formula: C15 H9 N O2
• Calculated formula: C15 H9 N O2
• SMILES: O1c2c(C(=O)n3c1cc1c3cccc1)cccc2
• Title of publication: Copper-catalyzed domino intramolecular cyclization: a facile and efficient approach to polycyclic indole derivatives.
• Authors of publication: Xia, Ziming; Wang, Kuo; Zheng, Jiening; Ma, Zheyong; Jiang, Zhanguo; Wang, Xiaoxia; Lv, Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1602 - 1611
• a: 12.237 ± 0.0013 Å
• b: 7.6556 ± 0.0008 Å
• c: 12.237 ± 0.0013 Å
• α: 90°
• β: 108.92°
• γ: 90°
• Cell volume: 1084.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1756
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.3158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No