Information card for entry 4515148

Structure parameters

• Common name: 24
• Formula: C15 H24 F3 N O4
• Calculated formula: C15 H24 F3 N O4
• SMILES: FC1(CCC(F)(F)CC1)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC
• Title of publication: Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.
• Authors of publication: Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 10854 - 10865
• a: 5.2019 ± 0.0001 Å
• b: 11.2334 ± 0.0003 Å
• c: 28.6154 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1672.14 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No