Information card for entry 7130626

Structure parameters

• Formula: C29 H23 N O7
• Calculated formula: C29 H23 N O7
• SMILES: O1c2c3c(oc(=O)c2[C@@]2(C(=O)N(c4c2cccc4)Cc2ccccc2)C[C@@]1(O)C(=O)OCC)cccc3
• Title of publication: Construction of spirocyclic oxindole derivatives by copper-catalyzed enantioselective Michael/hemiketalization in aqueous media.
• Authors of publication: Li, Ning; Lu, Wenjing; Gu, Weizhi; Li, Kuiliang; Li, Jindong; Lu, Yangmian; Zha, Zhenggen; Wang, Zhiyong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 10957 - 10960
• a: 11.7964 ± 0.0002 Å
• b: 12.7829 ± 0.0002 Å
• c: 16.2814 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2455.11 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No