Information card for entry 7154968

Structure parameters

• Formula: C29 H35 F N2 O5
• Calculated formula: C29 H35 F N2 O5
• SMILES: Fc1ccc(cc1)C(=C)[C@H]1N(N([C@@](CC1)(c1ccccc1)C=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Construction of enantioenriched polysubstituted hexahydropyridazines via a sequential multicatalytic process merging palladium catalysis and aminocatalysis.
• Authors of publication: Marques, A.-S.; Giardinetti, M.; Marrot, J.; Coeffard, V.; Moreau, X.; Greck, C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2828 - 2832
• a: 9.7463 ± 0.0005 Å
• b: 11.9704 ± 0.0005 Å
• c: 24.3772 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0534
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No