Information card for entry 1503980

Structure parameters

• Formula: C17 H18 Cl N O6
• Calculated formula: C17 H18 Cl N O6
• SMILES: Clc1cc2[C@]3(OC(=O)[C@@H](Nc2cc1)C3(C(=O)OCC)C(=O)OCC)C.Clc1cc2[C@@]3(OC(=O)[C@H](Nc2cc1)C3(C(=O)OCC)C(=O)OCC)C
• Title of publication: Zinc-catalyzed reactions of ethenetricarboxylates with 2-(trimethylsilylethynyl)anilines leading to bridged quinoline derivatives.
• Authors of publication: Yamazaki, Shoko; Morikawa, Satoshi; Miyazaki, Kazuya; Takebayashi, Masachika; Yamamoto, Yuko; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Mikata, Yuji
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2796 - 2799
• a: 11.5118 ± 0.0008 Å
• b: 8.8192 ± 0.0006 Å
• c: 17.5093 ± 0.0014 Å
• α: 90°
• β: 105.927 ± 0.003°
• γ: 90°
• Cell volume: 1709.4 ± 0.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No