Information card for entry 1554964

Structure parameters

• Formula: C19 H23 N O2 S
• Calculated formula: C19 H23 N O2 S
• SMILES: S(=O)(=O)(N1CC2(CCC3=CCCC(=C23)C1)C)c1ccc(cc1)C
• Title of publication: Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter
• Authors of publication: Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2506
• a: 35.164 ± 0.003 Å
• b: 8.6573 ± 0.0006 Å
• c: 11.5114 ± 0.0009 Å
• α: 90°
• β: 94.241 ± 0.002°
• γ: 90°
• Cell volume: 3494.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No