Information card for entry 7063455

Structure parameters

• Formula: C16 H20 N3 O5 P
• Calculated formula: C16 H20 N3 O5 P
• 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
• a: 9.7148 ± 0.0002 Å
• b: 10.9759 ± 0.0004 Å
• c: 17.1768 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1831.54 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No