Information card for entry 1503845

Structure parameters

• Formula: C17 H19 N O
• Calculated formula: C17 H19 N O
• SMILES: O=C1N2[C@H](Cc3c2cccc3)C[C@]21CC(=C)CCC2.O=C1N2[C@@H](Cc3c2cccc3)C[C@@]21CC(=C)CCC2
• Title of publication: Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.
• Authors of publication: Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1911 - 1914
• a: 11.406 ± 0.002 Å
• b: 10.314 ± 0.002 Å
• c: 12.029 ± 0.002 Å
• α: 90°
• β: 96.94 ± 0.03°
• γ: 90°
• Cell volume: 1404.7 ± 0.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No