Information card for entry 7245520

Structure parameters

• Formula: C18 H21 F3 N2 O4
• Calculated formula: C18 H21 F3 N2 O4
• Title of publication: A gold(i)-catalysed approach towards harmalidine an elusive alkaloid from Peganum harmala
• Authors of publication: Miaskiewicz, Solène; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 41
• Pages of publication: 26966 - 26974
• a: 8.79 ± 0.005 Å
• b: 9.963 ± 0.005 Å
• c: 10.845 ± 0.005 Å
• α: 88.953 ± 0.005°
• β: 89.952 ± 0.005°
• γ: 73.603 ± 0.005°
• Cell volume: 911 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No