Information card for entry 4110276

Structure parameters

• Formula: C46 H88 Cu2 Li4 N6 O2
• Calculated formula: C46 H88 Cu2 Li4 N6 O2
• Title of publication: Direct ortho Cupration: A New Route to Regioselectively Functionalized Aromatics
• Authors of publication: Shinya Usui; Yuichi Hashimoto; James V. Morey; Andrew E. H. Wheatley; Masanobu Uchiyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15102 - 15103
• a: 8.4351 ± 0.0017 Å
• b: 11.136 ± 0.002 Å
• c: 14.463 ± 0.003 Å
• α: 90.08 ± 0.03°
• β: 93.13 ± 0.03°
• γ: 101.75 ± 0.03°
• Cell volume: 1328 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No