Information card for entry 1511921

Structure parameters

• Formula: C19 H19 F3 N2 O3 S
• Calculated formula: C19 H19 F3 N2 O3 S
• Title of publication: Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.
• Authors of publication: Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1922 - 1925
• a: 9.4896 ± 0.0015 Å
• b: 9.4513 ± 0.0014 Å
• c: 10.805 ± 0.0016 Å
• α: 90°
• β: 108.172 ± 0.003°
• γ: 90°
• Cell volume: 920.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No