Information card for entry 1555155

Structure parameters

• Formula: C19 H14 Cl N2 O P
• Calculated formula: C19 H14 Cl N2 O P
• SMILES: P(=O)(c1n2c(nc1Cl)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.
• Authors of publication: Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3998 - 4001
• a: 11.949 ± 0.002 Å
• b: 8.5662 ± 0.0017 Å
• c: 17.479 ± 0.003 Å
• α: 90°
• β: 103.621 ± 0.002°
• γ: 90°
• Cell volume: 1738.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No