Information card for entry 4134703

Structure parameters

• Formula: C15 H11 Cl2 N O
• Calculated formula: C15 H11 Cl2 N O
• Title of publication: Divergent Synthesis of Tunable Cyclopentadienyl Ligands and Their Application in Rh-Catalyzed Enantioselective Synthesis of Isoindolinone.
• Authors of publication: Cui, Wen-Jun; Wu, Zhi-Jie; Gu, Qing; You, Shu-Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7379 - 7385
• a: 4.4481 ± 0.0002 Å
• b: 14.2679 ± 0.0006 Å
• c: 20.974 ± 0.0012 Å
• α: 90°
• β: 92.061 ± 0.002°
• γ: 90°
• Cell volume: 1330.25 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No