Information card for entry 7159676

Structure parameters

• Formula: C29 H21 F N2 O6
• Calculated formula: C29 H21 F N2 O6
• SMILES: c1ccccc1CN1c2ccc(cc2C2(C1=O)c1c3c(cccc3)[nH]c1C(=C(C(=O)OC)O2)C(=O)OC)F
• Title of publication: Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.
• Authors of publication: Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 47
• Pages of publication: 9392 - 9397
• a: 23.664 ± 0.003 Å
• b: 10.3466 ± 0.0011 Å
• c: 22.561 ± 0.003 Å
• α: 90°
• β: 116.638 ± 0.003°
• γ: 90°
• Cell volume: 4937.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2219
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No