Information card for entry 7106493

Structure parameters

• Common name: Au catalyzed dienyne 1c
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: O=S(=O)(N1CC=C/C(=C\C=C)C1)c1ccc(cc1)C
• Title of publication: Au(PPh3)OPOF2-Catalyzed Intramolecular [4+2] Cycloaddition Reaction of Dienynes
• Authors of publication: Soo Min Kim; Ji Hoon Park; Young Keun Chung
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6719
• a: 8.0592 ± 0.0002 Å
• b: 10.6389 ± 0.0004 Å
• c: 16.718 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1433.42 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No