Information card for entry 7161122

Structure parameters

• Chemical name: 2-fluorobenzo[4,5]thiazolo[3,2-a]indole
• Formula: C14 H8 F N S
• Calculated formula: C14 H8 F N S
• Title of publication: Mild PIFA-Mediated Synthesis of Benzo[4,5]thiazolo[3,2-a]indoles via Oxidative Cyclization
• Authors of publication: Liu, Xinya; Tran, Christine; Provot, Olivier; Retailleau, Pascal; Hamze, Abdallah
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 10.7774 ± 0.0008 Å
• b: 24.6512 ± 0.0014 Å
• c: 4.0427 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.05 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No