Information card for entry 1503847

Structure parameters

• Formula: C13 H13 F6 N O
• Calculated formula: C13 H13 F6 N O
• SMILES: FC(F)(F)C(C)(C(F)(F)F)C(=O)N[C@H](C)c1ccccc1
• Title of publication: New sterically driven mode for generation of helical chirality.
• Authors of publication: Ueki, Hisanori; Soloshonok, Vadim A.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1797 - 1800
• a: 11.865 ± 0.002 Å
• b: 11.865 ± 0.002 Å
• c: 19.328 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2721 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No