Information card for entry 7063454

Structure parameters

• Formula: C16 H9 Cl N4 O2 S
• Calculated formula: C16 H9 Cl N4 O2 S
• Title of publication: CsF-mediated reaction of diazo compounds with 3-nitroindoles: access to cyano- and phosphonylpyrazolo[4,3-b]indoles
• Authors of publication: Kumar, Sandeep; Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 17670 - 17675
• a: 10.9488 ± 0.0002 Å
• b: 15.2489 ± 0.0005 Å
• c: 9.43379 ± 0.00019 Å
• α: 90°
• β: 96.3474 ± 0.0018°
• γ: 90°
• Cell volume: 1565.38 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No