Information card for entry 4034893

Structure parameters

• Formula: C17 H13 F3 N2 O
• Calculated formula: C17 H13 F3 N2 O
• SMILES: FC(F)(F)[C@@H]1N[C@@]2(C(=O)N(c3c2cccc3)C)c2ccccc12.FC(F)(F)[C@H]1N[C@]2(C(=O)N(c3c2cccc3)C)c2ccccc12
• Title of publication: Synthesis of Spiro[oxindole-3,2'-pyrrolidine] Derivatives from Benzynes and Azomethine Ylides through 1,3-Dipolar Cycloaddition Reactions.
• Authors of publication: Ryu, Heesun; Seo, Jeongseob; Ko, Haye Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 14102 - 14109
• a: 9.1643 ± 0.0002 Å
• b: 15.052 ± 0.0003 Å
• c: 21.5352 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2970.59 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No