Information card for entry 7249275

Structure parameters

• Formula: C42 H30 Cl2 N4 O12 S2
• Calculated formula: C42 H30 Cl2 N4 O12 S2
• Title of publication: Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate
• Authors of publication: Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 27894 - 27903
• a: 20.4035 ± 0.0006 Å
• b: 8.6054 ± 0.0003 Å
• c: 23.5849 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4141 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No