Information card for entry 7156192

Structure parameters

• Formula: C22 H29 F N2 O4
• Calculated formula: C22 H29 F N2 O4
• Title of publication: Realisation of small molecule libraries based on frameworks distantly related to natural products.
• Authors of publication: Aimon, Anthony; Karageorgis, George; Masters, Jacob; Dow, Mark; Craven, Philip G. E.; Ohsten, Martin; Willaume, Anthony; Morgentin, Rémy; Ruiz-Llamas, Nicolas; Lemoine, Hugues; Kalliokoski, Tuomo; Eatherton, Andrew J.; Foley, Daniel J.; Marsden, Stephen P.; Nelson, Adam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3160 - 3167
• a: 10.7014 ± 0.0002 Å
• b: 14.4421 ± 0.0003 Å
• c: 14.1016 ± 0.0004 Å
• α: 90°
• β: 106.984 ± 0.003°
• γ: 90°
• Cell volume: 2084.36 ± 0.09 ų
• Cell temperature: 119.99 ± 0.17 K
• Ambient diffraction temperature: 119.99 ± 0.17 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No