Information card for entry 7160123

Structure parameters

• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• Title of publication: Au(III)/TPPMS-catalyzed Friedel-Crafts benzylation of deactivated <i>N</i>-alkylanilines in water.
• Authors of publication: Hikawa, Hidemasa; Fukuda, Akane; Kondo, Kazuma; Nakayama, Taku; Enda, Tomokatsu; Kikkawa, Shoko; Azumaya, Isao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 38
• Pages of publication: 7874 - 7879
• a: 14.4437 ± 0.0005 Å
• b: 5.5419 ± 0.0002 Å
• c: 20.4328 ± 0.0006 Å
• α: 90°
• β: 95.219 ± 0.003°
• γ: 90°
• Cell volume: 1628.77 ± 0.09 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No