Information card for entry 7154924

Structure parameters

• Formula: C28 H27 N O5 S
• Calculated formula: C28 H27 N O5 S
• SMILES: S(=O)(=O)(N1[C@@H]2Oc3ccccc3C[C@@H]2[C@H](C=C1C(=O)OCC)c1ccccc1)c1ccc(C)cc1
• Title of publication: One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.
• Authors of publication: Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2444 - 2453
• a: 9.9601 ± 0.0008 Å
• b: 10.8355 ± 0.0007 Å
• c: 23.6278 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2550 ± 0.3 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: 0.0585
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No