Information card for entry 4110491

Structure parameters

• Formula: C18 H14 Cl N O
• Calculated formula: C18 H14 Cl N O
• SMILES: Clc1cc(/C=C2\C(=O)N3[C@H](C2)Cc2ccccc32)ccc1
• Title of publication: Pd(II)-Catalyzed Enantioselective Oxidative Tandem Cyclization Reactions. Synthesis of Indolines through C-N and C-C Bond Formation
• Authors of publication: Kai-Tai Yip; Min Yang; Ka-Lun Law; Nian-Yong Zhu; Dan Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 3130 - 3131
• a: 5.605 ± 0.0011 Å
• b: 11.22 ± 0.002 Å
• c: 22.945 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1443 ± 0.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No