Information card for entry 7118704

Structure parameters

• Formula: C23 H24 N2 O4 S
• Calculated formula: C23 H24 N2 O4 S
• SMILES: S(=O)(=O)(N1C[C@@]23O[C@@](OC2=C)([C@H]2[C@@H]3N(CC1)c1c2cccc1)C)c1ccc(cc1)C.S(=O)(=O)(N1C[C@]23O[C@](OC2=C)([C@@H]2[C@H]3N(CC1)c1c2cccc1)C)c1ccc(cc1)C
• Title of publication: Gold(i)-catalyzed highly stereoselective synthesis of polycyclic indolines: the construction of four contiguous stereocenters.
• Authors of publication: Yang, Jin-Ming; Li, Peng-Hua; Wei, Yin; Tang, Xiang-Ying; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 346 - 349
• a: 9.5226 ± 0.0008 Å
• b: 36.221 ± 0.003 Å
• c: 24.769 ± 0.002 Å
• α: 90°
• β: 99.375 ± 0.002°
• γ: 90°
• Cell volume: 8429.2 ± 1.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.14
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No