Information card for entry 7135923

Structure parameters

• Chemical name: SD_VB_01
• Formula: C44 H30 N6 O6
• Calculated formula: C44 H30 N6 O6
• Title of publication: PIDA-Mediated Oxidative Ring-Opening of 2H-Indazoles with N-Hydroxyphthalimide
• Authors of publication: Barman, Arindam; Das, Krishna Kanta; Hajra, Alakananda
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 8.7305 ± 0.0002 Å
• b: 17.1804 ± 0.0003 Å
• c: 25.2425 ± 0.0005 Å
• α: 90°
• β: 99.034 ± 0.002°
• γ: 90°
• Cell volume: 3739.24 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No