Information card for entry 2300483

Structure parameters

• Common name: 0234
• Chemical name: R,S erythro-alpha-2-piperidyl 2,8bis(trifluoromethyl)-4quinolinemethanol hydrochloride
• Formula: C34 H34 Cl2 F12 N4 O3
• Calculated formula: C34 H34 Cl2 F12 N4 O3
• Title of publication: Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species
• Authors of publication: Mendes do Prado, Vânia; Cardoso Seiceira, Rafael; Pitaluga Jr, Altivo; Andrade-Filho, Tarciso; Andrade Alves, Wendel; Reily Rocha, Alexandre; Furlan Ferreira, Fabio
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1380 - 1386
• a: 24.5663 ± 0.0003 Å
• b: 24.5663 ± 0.0003 Å
• c: 6.38601 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3853.98 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor R(I) for significantly intense reflections: 0.0143
• Goodness-of-fit parameter for all reflections: 2.15
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes