Information card for entry 7157996

Structure parameters

• Formula: C16 H21 N O4
• Calculated formula: C16 H21 N O4
• 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: 16.2391 ± 0.0004 Å
• b: 16.2391 ± 0.0004 Å
• c: 5.8098 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.09 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No