Information card for entry 4034186

Structure parameters

• Formula: C29 H36 N2 O4 Si
• Calculated formula: C29 H36 N2 O4 Si
• SMILES: [Si](O[C@@H]1[C@]2(C(=O)N(N=C2C)c2ccc(cc2)C)C(=C[C@H]([C@H]1C)C(=O)OCC)c1ccccc1)(C)(C)C
• Title of publication: Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.
• Authors of publication: Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 14
• Pages of publication: 9138 - 9150
• a: 8.96693 ± 0.00009 Å
• b: 16.838 ± 0.0002 Å
• c: 18.4036 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.67 ± 0.06 ų
• Cell temperature: 139.1 ± 0.2 K
• Ambient diffraction temperature: 139.1 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No