Information card for entry 7154648

Structure parameters

• Formula: C21 H14 Cl N O3
• Calculated formula: C21 H14 Cl N O3
• SMILES: Clc1ccc(C(=O)c2n3c(c(OC(=O)C)c2)ccc2c3cccc2)cc1
• Title of publication: Palladium-catalyzed direct and regioselective C-H acyloxylation of indolizines.
• Authors of publication: Sun, Jinwei; Wang, Fuyao; Shen, Yongmiao; Zhi, Huizhen; Wu, Hui; Liu, Yun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 40
• Pages of publication: 10236 - 10243
• a: 18.6725 ± 0.0014 Å
• b: 9.6689 ± 0.0007 Å
• c: 19.3848 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3499.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No