Information card for entry 7153481

Structure parameters

• Chemical name: N,N'-(2S,7S,E)-1,1,1,8,8,8-hexafluorooct-4-ene-2,7-diyl)bis(N-(4- methoxylphenyl)acetamide)
• Formula: C26 H28 F6 N2 O4
• Calculated formula: C26 H28 F6 N2 O4
• SMILES: FC(F)(F)[C@@H](N(C(=O)C)c1ccc(OC)cc1)C/C=C/C[C@H](N(C(=O)C)c1ccc(OC)cc1)C(F)(F)F
• Title of publication: Aminocyclopropanes as precursors of endoperoxides with antimalarial activity.
• Authors of publication: Madelaine, Claire; Buriez, Olivier; Crousse, Benoît; Florent, Isabelle; Grellier, Philippe; Retailleau, Pascal; Six, Yvan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5591 - 5601
• a: 11.001 ± 0.002 Å
• b: 11.945 ± 0.002 Å
• c: 20.385 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2678.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No