Information card for entry 1568685

Structure parameters

• Common name: 2S-azido 3S-Boc-amino butyrolactone
• Chemical name: tert-butyl (4-azido-5-oxotetrahydrofuran-3-yl)carbamate
• Formula: C9 H14 N4 O4
• Calculated formula: C9 H14 N4 O4
• Title of publication: Synthesis of functionalized 2,3-diaminopropionates and their potential for directed monobactam biosynthesis.
• Authors of publication: Lichstrahl, Michael S.; Kahlert, Lukas; Li, Rongfeng; Zandi, Trevor A.; Yang, Jerry; Townsend, Craig A.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3923 - 3931
• a: 5.17882 ± 0.00011 Å
• b: 9.5846 ± 0.0002 Å
• c: 23.5161 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1167.27 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No