Information card for entry 7159674

Structure parameters

• Formula: C35 H29 N3 O5
• Calculated formula: C35 H29 N3 O5
• SMILES: c1ccccc1CN1c2ccccc2C(C1=O)(c1c2c(cccc2)[nH]c1)c1ccc(cc1)N/C(C(=O)OC)=C\C(=O)OC
• 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: 8.803 ± 0.002 Å
• b: 11.433 ± 0.003 Å
• c: 18.19 ± 0.005 Å
• α: 106.892 ± 0.008°
• β: 93.952 ± 0.008°
• γ: 94.154 ± 0.008°
• Cell volume: 1739.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No