Information card for entry 4515149

Structure parameters

• Common name: 40
• Formula: C14 H24 N2 O3
• Calculated formula: C14 H24 N2 O3
• SMILES: O=C1NC2(CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C
• 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: 5.8929 ± 0.0004 Å
• b: 9.6349 ± 0.0006 Å
• c: 13.2171 ± 0.0009 Å
• α: 90°
• β: 95.355 ± 0.004°
• γ: 90°
• Cell volume: 747.16 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No