Information card for entry 4024465

Structure parameters

• Formula: C26 H28 N2 O3
• Calculated formula: C26 H28 N2 O3
• SMILES: O(CC)[C@H]1OC/C(=C\c2ccc(NC(=O)N[C@H](C)c3cccc4ccccc34)cc2)C1
• Title of publication: Palladium(II)-Catalyzed Asymmetric Coupling of Allylic Alcohols and Vinyl Ethers: Insight into the Palladium and Copper Bimetallic Catalyst
• Authors of publication: Yasufumi Kawamura; Yasuhiro Kawano; Tomohiro Matsuda; Yûta Ishitobi; Takahiro Hosokawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3048 - 3053
• a: 13.0005 ± 0.0003 Å
• b: 4.73152 ± 0.00011 Å
• c: 17.4577 ± 0.0004 Å
• α: 90°
• β: 90.5905 ± 0.0015°
• γ: 90°
• Cell volume: 1073.8 ± 0.04 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No