Information card for entry 7235468

Structure parameters

• Formula: C16 H17 Br F3 N3 O2
• Calculated formula: C16 H17 Br F3 N3 O2
• Title of publication: Alternative synthesis of the anti-baldness compound RU58841
• Authors of publication: Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 27
• Pages of publication: 14143
• a: 16.8394 ± 0.001 Å
• b: 14.6957 ± 0.0009 Å
• c: 15.2413 ± 0.0009 Å
• α: 90°
• β: 103.156 ± 0.001°
• γ: 90°
• Cell volume: 3672.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No