Information card for entry 7153180

Structure parameters

• Formula: C18 H17 F3 N2 O3
• Calculated formula: C18 H17 F3 N2 O3
• SMILES: FC(F)(F)[C@H]1NN(C(=O)C1)C(=O)[C@H](c1cc2ccc(OC)cc2cc1)C
• Title of publication: The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.
• Authors of publication: Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 45
• Pages of publication: 7877 - 7892
• a: 11.641 ± 0.009 Å
• b: 6.185 ± 0.004 Å
• c: 11.974 ± 0.009 Å
• α: 90°
• β: 104.942 ± 0.018°
• γ: 90°
• Cell volume: 833 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No