Information card for entry 1507857

Structure parameters

• Formula: C26 H24 F N O3 S
• Calculated formula: C26 H24 F N O3 S
• SMILES: c1c(ccc2c1[C@]1(C[C@H]3[C@]2(CCN(C3)S(=O)(=O)c2ccc(cc2)C)O1)c1ccccc1)F.c1c(ccc2c1[C@@]1(C[C@@H]3[C@@]2(CCN(C3)S(=O)(=O)c2ccc(cc2)C)O1)c1ccccc1)F
• Title of publication: Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives.
• Authors of publication: Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3344 - 3347
• a: 13.03 ± 0.013 Å
• b: 12.205 ± 0.012 Å
• c: 15.586 ± 0.015 Å
• α: 90°
• β: 114.153 ± 0.011°
• γ: 90°
• Cell volume: 2262 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1715
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No