Information card for entry 7114867

Structure parameters

• Formula: C11 H3 F8 N
• Calculated formula: C11.08 H3 F8 N
• Title of publication: Diastereoselectivity controlled by electrostatic repulsion between the negative charge on a trifluoromethyl group and that on aromatic ringsElectronic supplementary information (ESI) available: general experimental methods and typical reaction procedure. See http://www.rsc.org/suppdata/cc/b1/b105602f/
• Authors of publication: Katagiri, Toshimasa; Yamaji, Sachiko; Handa, Michiharu; Irie, Minoru; Uneyama, Kenji
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2054
• a: 10.6401 ± 0.0004 Å
• b: 10.6401 ± 0.0004 Å
• c: 10.6401 ± 0.0004 Å
• α: 111.853 ± 0.0004°
• β: 111.853 ± 0.0004°
• γ: 111.853 ± 0.0004°
• Cell volume: 835.6 ± 0.06 ų
• Cell temperature: 150.2 K
• Ambient diffraction temperature: 150.2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :R
• Hall space group symbol: P 3*
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0308
• Goodness-of-fit parameter for significantly intense reflections: 1.411
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No