Information card for entry 4515763

Structure parameters

• Formula: C27 H28 Cl F N4 O8
• Calculated formula: C27 H28 Cl F N4 O8
• SMILES: Clc1ccc2N(C(=O)[C@@]3(OC[C@@]4(OC(=O)N[C@]5(C(=O)N(c6c5ccc(F)c6)C)C4)N3C(=O)OC(C)(C)C)c2c1)C.O
• Title of publication: Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions
• Authors of publication: Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 10180
• a: 12.2999 ± 0.0013 Å
• b: 14.3668 ± 0.0016 Å
• c: 15.8349 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2798.2 ± 0.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• 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: 0.1043
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No