Information card for entry 7235470

Structure parameters

• Formula: C12 H10 Br F3 N2 O
• Calculated formula: C12 H10 Br F3 N2 O
• 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: 5.6717 ± 0.0003 Å
• b: 22.0719 ± 0.0012 Å
• c: 10.2761 ± 0.0006 Å
• α: 90°
• β: 103.28 ± 0.001°
• γ: 90°
• Cell volume: 1252.02 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No