Information card for entry 7108669

Structure parameters

• Formula: C24 H21 Cl2 N O2 S
• Calculated formula: C24 H21 Cl2 N O2 S
• SMILES: S(=O)(=O)(N1CC(=C(C1c1ccc(Cl)cc1)CCl)c1ccccc1)c1ccc(cc1)C
• Title of publication: FeCl3-catalyzed cyclization of alpha-sulfonamido-allenes with aldehydes‒the substituent effect
• Authors of publication: Jiajia Cheng; Xinjun Tang; Yihua Yu; Shengming Ma
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 12074
• a: 17.918 ± 0.002 Å
• b: 5.8464 ± 0.0008 Å
• c: 21.295 ± 0.003 Å
• α: 90°
• β: 99.577 ± 0.004°
• γ: 90°
• Cell volume: 2199.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No