Information card for entry 7118703

Structure parameters

• Formula: C26 H32 N2 O5 S
• Calculated formula: C26 H32 N2 O5 S
• SMILES: S(=O)(=O)(N1CCN2[C@H]3[C@](O[C@@](O)([C@H]3c3ccccc23)C(C)(C)C)(C1)C(=O)C)c1ccc(cc1)C.S(=O)(=O)(N1CCN2[C@@H]3[C@@](O[C@](O)([C@@H]3c3ccccc23)C(C)(C)C)(C1)C(=O)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: 9.814 ± 0.004 Å
• b: 10.84 ± 0.004 Å
• c: 23.074 ± 0.009 Å
• α: 90°
• β: 95.566 ± 0.006°
• γ: 90°
• Cell volume: 2443.1 ± 1.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No