Information card for entry 1503846

Structure parameters

• Formula: C23 H23 N O
• Calculated formula: C23 H23 N O
• SMILES: C1(=O)[C@@]2(C[C@@H]3Cc4c(cccc4)N13)CCC/C(=C\c1ccccc1)C2.C1(=O)[C@]2(C[C@H]3Cc4c(cccc4)N13)CCC/C(=C\c1ccccc1)C2
• 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: 10.455 ± 0.002 Å
• b: 11.538 ± 0.002 Å
• c: 29.956 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3613.6 ± 1.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No