Information card for entry 4020036

Structure parameters

• Chemical name: 2,3-Dihydro-2-phenylimino-thiazole-3-carboxylic acid 1,1-dimethylethylester
• Formula: C14 H16 N2 O2 S
• Calculated formula: C14 H16 N2 O2 S
• Authors of publication: Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 567 - 574
• a: 9.0101 ± 0.0007 Å
• b: 10.5938 ± 0.0008 Å
• c: 30.086 ± 0.002 Å
• α: 90°
• β: 91.797 ± 0.002°
• γ: 90°
• Cell volume: 2870.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0684
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No