Information card for entry 4038713

Structure parameters

• Formula: C84 H108 I2 N10 Zn2
• Calculated formula: C84 H108 I2 N10 Zn2
• Title of publication: Zinc Hydride Catalyzed Hydrofuntionalization of Ketones.
• Authors of publication: Sahoo, Rajata Kumar; Mahato, Mamata; Jana, Achintya; Nembenna, Sharanappa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.5467 ± 0.0002 Å
• b: 15.2671 ± 0.0003 Å
• c: 19.7699 ± 0.0003 Å
• α: 107.173 ± 0.002°
• β: 100.844 ± 0.001°
• γ: 90.31 ± 0.001°
• Cell volume: 3828.64 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.3321
• Weighted residual factors for all reflections included in the refinement: 0.3376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.697
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No