Information card for entry 7156263

Structure parameters

• Common name: Febrifugine
• Chemical name: Febrifugine
• Formula: C16 H19 N3 O3
• Calculated formula: C16 H19 N3 O3
• Title of publication: A convergent strategy towards febrifugine and related compounds.
• Authors of publication: Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4159 - 4169
• a: 10.2591 ± 0.0006 Å
• b: 9.6617 ± 0.0005 Å
• c: 30.5377 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3026.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.517
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No