Information card for entry 7109081

Structure parameters

• Formula: C16 H15 N O S
• Calculated formula: C16 H15 N O S
• SMILES: s1c2c(C3(N(C(=O)C2)CCC3)c2ccccc2)cc1
• Title of publication: A cascade approach to fused indolizinones through Lewis acid-copper(I) relay catalysis
• Authors of publication: Huawen Huang; Xiaochen Ji; Wanqing Wu; Huanfeng Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3351
• a: 12.036 ± 0.002 Å
• b: 14.203 ± 0.003 Å
• c: 7.8232 ± 0.0016 Å
• α: 90°
• β: 91.4 ± 0.03°
• γ: 90°
• Cell volume: 1337 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No