Information card for entry 4024868

Structure parameters

• Formula: C25 H27 N O3
• Calculated formula: C25 H27 N O3
• SMILES: C1(=O)CC[C@]23CCCC=C2c2cc(c(cc2[C@@H]3N1Cc1ccccc1)OC)OC.C1(=O)CC[C@@]23CCCC=C2c2cc(c(cc2[C@H]3N1Cc1ccccc1)OC)OC
• Title of publication: Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway
• Authors of publication: Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6929 - 6935
• a: 9.6061 ± 0.0003 Å
• b: 26.6832 ± 0.0009 Å
• c: 8.2419 ± 0.0003 Å
• α: 90°
• β: 107.54 ± 0.002°
• γ: 90°
• Cell volume: 2014.36 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No