Information card for entry 7217625

Structure parameters

• Formula: C16 H25 N O3 S
• Calculated formula: C16 H25 N O3 S
• SMILES: S(N[C@@H](c1cc(OC)c(OC)cc1)CC=C)(=O)C(C)(C)C
• Title of publication: Indium-assisted aluminium-based stereoselective allylation of prostereogenic α, α-disubstituted cycloalkanones and imines
• Authors of publication: Reddy, Chennakesava; Srinivasarao, Arulananda Babu; Aslam, Nayyar Ahmad
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 7.03 ± 0.0014 Å
• b: 14.16 ± 0.003 Å
• c: 17.88 ± 0.004 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 1779.9 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0623
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No