Information card for entry 7060394

Structure parameters

• Formula: C40 H32 F N3 O2
• Calculated formula: C40 H32 F N3 O2
• Title of publication: Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles
• Authors of publication: Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 5075 - 5080
• a: 9.6468 ± 0.0007 Å
• b: 15.0615 ± 0.0012 Å
• c: 22.4916 ± 0.0015 Å
• α: 90°
• β: 99.82 ± 0.002°
• γ: 90°
• Cell volume: 3220 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.114
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No