Information card for entry 1508707

Structure parameters

• Formula: C28 H30 N2 O4 S
• Calculated formula: C28 H30 N2 O4 S
• SMILES: S(=O)(=O)(N1N=C(c2c(C1CC(=O)OCCCC)cccc2)c1ccccc1C)c1ccc(cc1)C
• Title of publication: Rhodium-catalyzed oxidative annulation of sulfonylhydrazones with alkenes.
• Authors of publication: Li, Guifei; Ding, Zhengwei; Xu, Bin
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5338 - 5341
• a: 11.5309 ± 0.0016 Å
• b: 8.303 ± 0.0012 Å
• c: 27.839 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.002°
• γ: 90°
• Cell volume: 2639.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1214
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No