Information card for entry 4518169

Structure parameters

• Formula: C14 H16 N2 O6 S
• Calculated formula: C14 H16 N2 O6 S
• Title of publication: Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives
• Authors of publication: Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 43
• Pages of publication: 27756 - 27765
• a: 14.784 ± 0.0009 Å
• b: 6.8291 ± 0.0004 Å
• c: 16.075 ± 0.0008 Å
• α: 90°
• β: 106.46 ± 0.002°
• γ: 90°
• Cell volume: 1556.44 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No