Information card for entry 8105869

Structure parameters

• Formula: C14 H13 F2 N3 O3
• Calculated formula: C14 H13 F2 N3 O3
• Title of publication: Synthesis and crystal structure of (±)-Ethyl 5′-(difluoromethyl)-2-oxo-4′,5′-dihydrospiro[indoline-3,3′-pyrazole]-4′-carboxylate, C14H13F2N3O3
• Authors of publication: Li, Wu-Wu; Zheng, Min-Yan; Guo, Ying; Jiang, Yan-Ping; Wang, Qiao; Wang, Mei; Ji, Min-Xiang; Zhang, Yu-Tao; Zhang, Zun-Ting
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 845 - 847
• a: 9.4486 ± 0.0007 Å
• b: 12.4694 ± 0.0008 Å
• c: 13.869 ± 0.0008 Å
• α: 65.734 ± 0.006°
• β: 74.523 ± 0.005°
• γ: 83.726 ± 0.006°
• Cell volume: 1435.63 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No