Information card for entry 7129388

Structure parameters

• Formula: C23 H19 I N2 O5 S
• Calculated formula: C23 H19 I N2 O5 S
• Title of publication: Remote Difunctionalization of 2H-Indazoles Using Koser’s Reagents
• Authors of publication: Hajra, Alakananda; Bhattacharjee, Suvam; Laru, Sudip
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.5871 ± 0.0006 Å
• b: 22.0393 ± 0.0015 Å
• c: 11.572 ± 0.0007 Å
• α: 90°
• β: 90.532 ± 0.002°
• γ: 90°
• Cell volume: 2189.9 ± 0.3 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No