Information card for entry 7107365

Structure parameters

• Formula: C19 H19 N3 O5 S
• Calculated formula: C19 H19 N3 O5 S
• Title of publication: Organocatalytic Enantioselective Synthesis of 2,3-Dyhidropyridazines
• Authors of publication: Maitane Fernandez; Jose L. Vicario; Efraim Reyes; Luisa Carrillo; Dolores Badia
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2092
• a: 8.0573 ± 0.0002 Å
• b: 10.8477 ± 0.0002 Å
• c: 11.3405 ± 0.0002 Å
• α: 90°
• β: 107.716 ± 0.002°
• γ: 90°
• Cell volume: 944.19 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No