Information card for entry 8107521

Structure parameters

• Chemical name: 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2- carboxylic acid, C11H12N2O4S,C~11~H~12~N~2~O~4~S~1~
• Formula: C11 H12 N2 O4 S
• Calculated formula: C11 H12 N2 O4 S
• Title of publication: Crystal structure of 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C11H12N2O4S
• Authors of publication: Song, Jinqing; Cui, Beibei; Mi, Xia; Zhang, Jingyu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 653 - 654
• a: 11.08447 ± 0.00014 Å
• b: 10.71473 ± 0.00016 Å
• c: 19.5463 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2321.46 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No