Information card for entry 7150914

Structure parameters

• Formula: C20 H27 N3 O3 S
• Calculated formula: C20 H27 N3 O3 S
• Title of publication: Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones
• Authors of publication: Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2574 - 2586
• a: 11.778 ± 0.002 Å
• b: 16.333 ± 0.003 Å
• c: 21.185 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4075.4 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No