Information card for entry 1570369

Structure parameters

• Chemical name: Methyl 1-(4-fluorobenzyl)-1<i>H</i>-indazole-3-carboxylate
• Formula: C16 H13 F N2 O2
• Calculated formula: C16 H13 F N2 O2
• Title of publication: Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate
• Authors of publication: Doi, Takahiro; Sakai, Takayuki
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 11
• a: 5.04322 ± 0.00003 Å
• b: 18.11509 ± 0.00013 Å
• c: 14.46487 ± 0.0001 Å
• α: 90°
• β: 90.46 ± 0.0006°
• γ: 90°
• Cell volume: 1321.44 ± 0.015 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No