Information card for entry 7158000

Structure parameters

• Formula: C26 H37 N O6
• Calculated formula: C26 H37 N O6
• SMILES: O(C(C)(C)C)C(=O)C1([C@@]2(Nc3ccccc13)[C@H](C(=O)OC)CC[C@@H](C)C2)C(=O)OC(C)(C)C
• Title of publication: Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.
• Authors of publication: Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4043 - 4047
• a: 10.5703 ± 0.0002 Å
• b: 18.2177 ± 0.0004 Å
• c: 13.5717 ± 0.0003 Å
• α: 90°
• β: 98.191 ± 0.001°
• γ: 90°
• Cell volume: 2586.79 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No