Information card for entry 1547017

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: O[C@@H]1[C@@]2(C(=C)CN([C@@H]2c2c1cccc2)c1ccccc1)CO.O[C@H]1[C@]2(C(=C)CN([C@H]2c2c1cccc2)c1ccccc1)CO
• Title of publication: CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines.
• Authors of publication: Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4540 - 4543
• a: 14.427 ± 0.0004 Å
• b: 6.42046 ± 0.00013 Å
• c: 17.0456 ± 0.0005 Å
• α: 90°
• β: 109.769 ± 0.003°
• γ: 90°
• Cell volume: 1485.85 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No