Information card for entry 1502890

Structure parameters

• Formula: C13 H14 Cl N O
• Calculated formula: C13 H14 Cl N O
• SMILES: Cl[C@H]1C[C@@H]2N(c3c(C1)cccc3)C(=O)CC2.Cl[C@@H]1C[C@H]2N(c3c(C1)cccc3)C(=O)CC2
• Title of publication: Highly stereoselective 7-endo-trig/ring contraction cascade to construct pyrrolo[1,2-a]quinoline derivatives.
• Authors of publication: Li, Xinyu; Li, Cheng; Zhang, Wenjing; Lu, Xiang; Han, Shiqing; Hong, Ran
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1696 - 1699
• a: 7.1065 ± 0.0004 Å
• b: 6.9716 ± 0.0004 Å
• c: 24.0669 ± 0.0013 Å
• α: 90°
• β: 104.243 ± 0.003°
• γ: 90°
• Cell volume: 1155.71 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No