Information card for entry 4123434

Structure parameters

• Formula: C129 H77 Cl3 N4 O16 S8
• Calculated formula: C129 H77 Cl3 N4 O16 S8
• Title of publication: Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.
• Authors of publication: Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2460 - 2463
• a: 11.944 ± 0.003 Å
• b: 37.285 ± 0.008 Å
• c: 12.625 ± 0.003 Å
• α: 90°
• β: 115.775 ± 0.0017°
• γ: 90°
• Cell volume: 5063 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No