Information card for entry 1519945

Structure parameters

• Formula: C33 H42 N4 O9
• Calculated formula: C33 H42 N4 O9
• Title of publication: Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions
• Authors of publication: Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4923
• a: 10.4318 ± 0.00015 Å
• b: 18.5656 ± 0.0003 Å
• c: 17.6555 ± 0.0003 Å
• α: 90°
• β: 90.817 ± 0.0013°
• γ: 90°
• Cell volume: 3419.04 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No