Information card for entry 4513993

Structure parameters

• Formula: C30 H30 Ni O2 P2
• Calculated formula: C30 H30 Ni O2 P2
• Title of publication: Nickel-Catalyzed Deamidative Step-Down Reduction of Amides to Aromatic Hydrocarbons
• Authors of publication: Dey, Aniruddha; Sasmal, Sheuli; Seth, Kapileswar; Lahiri, Goutam Kumar; Maiti, Debabrata
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Pages of publication: 433
• a: 18.9022 ± 0.0003 Å
• b: 9.9937 ± 0.0002 Å
• c: 43.3265 ± 0.0007 Å
• α: 90°
• β: 91.431 ± 0.0016°
• γ: 90°
• Cell volume: 8181.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No