Information card for entry 7160314

Structure parameters

• Formula: C11 H20 N2 O2
• Calculated formula: C11 H20 N2 O2
• Title of publication: Biocompatible synthesis of macrocyclic thiazole peptides from chiral α-amino nitriles.
• Authors of publication: Shang, Minghao; He, Junming; Gardiner, Michael G.; Nitsche, Christoph
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 43
• Pages of publication: 9815 - 9818
• a: 5.1263 ± 0.0001 Å
• b: 10.4781 ± 0.0003 Å
• c: 12.0133 ± 0.0003 Å
• α: 90°
• β: 98.138 ± 0.002°
• γ: 90°
• Cell volume: 638.78 ± 0.03 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0492
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No