Information card for entry 7716255

Structure parameters

• Formula: C14 H8 F N5 O
• Calculated formula: C14 H8 F N5 O
• Title of publication: Molecular Engineering of 3-Arylated Tetrazo[1,2-b]indazoles: Divergent Synthesis and Structure-property Relationships
• Authors of publication: Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel -; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.078 ± 0.0016 Å
• b: 14.1178 ± 0.0014 Å
• c: 6.4583 ± 0.0008 Å
• α: 90°
• β: 95.405 ± 0.004°
• γ: 90°
• Cell volume: 1187.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No