Information card for entry 4037585

Structure parameters

• Formula: C18 H25 N O3 S
• Calculated formula: C18 H25 N O3 S
• SMILES: [C@@H]12C[C@H]3CC[C@]1(CS(=O)(=O)N2C(=O)C1=C[C@H]2CC[C@@H]1C2)C3(C)C
• Title of publication: Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.
• Authors of publication: Li, Renhe; Liu, Feipeng; Dong, Guangbin
• Journal of publication: Organic chemistry frontiers : an international journal of organic chemistry
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3108 - 3112
• a: 7.8259 ± 0.0006 Å
• b: 9.5135 ± 0.0008 Å
• c: 22.647 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1686.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No