Information card for entry 7106335

Structure parameters

• Common name: gold-yj
• Formula: C20 H21 N O3 S
• Calculated formula: C20 H21 N O3 S
• SMILES: S(=O)(=O)(N1[C@]2(OC[C@@H]3[C@@]2(c2ccccc2)[C@@H]3C1)C)c1ccc(cc1)C.S(=O)(=O)(N1[C@@]2(OC[C@H]3[C@]2(c2ccccc2)[C@H]3C1)C)c1ccc(cc1)C
• Title of publication: Gold(I)-catalyzed cycloisomerization of alkynyl hydroxyallyl tosylamides to 4-oxa-6-azatricyclo[3.3.0.02,8]octanes
• Authors of publication: Youjung Park; Sun Young Kim; Ji Hoon Park; Jieun Cho; Youn Kyung Kang; Young Keun Chung
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5190
• a: 7.8824 ± 0.0004 Å
• b: 13.2869 ± 0.0007 Å
• c: 17.5082 ± 0.0009 Å
• α: 90°
• β: 98.799 ± 0.003°
• γ: 90°
• Cell volume: 1812.1 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No