Information card for entry 1512341

Structure parameters

• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• SMILES: COc1ccc(cc1)/C=C/[C@@]1(C)CC[C@@]2(C1)C(=O)N(C)c1ccccc21.COc1ccc(cc1)/C=C/[C@]1(C)CC[C@]2(C1)C(=O)N(C)c1ccccc21
• Title of publication: Pd-Catalyzed Heck-Type Cascade Reactions withN-Tosyl Hydrazones: An Efficient Way to Alkenes via in Situ Generated Alkylpalladium
• Authors of publication: Liu, Xianglei; Ma, Xinna; Huang, Yunze; Gu, Zhenhua
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4814
• a: 11.319 ± 0.0004 Å
• b: 9.278 ± 0.0004 Å
• c: 18.4667 ± 0.0007 Å
• α: 90°
• β: 94.237 ± 0.003°
• γ: 90°
• Cell volume: 1934.03 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No