Information card for entry 7156521

Structure parameters

• Formula: C26 H27 N3 O8
• Calculated formula: C26 H27 N3 O8
• Title of publication: Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.
• Authors of publication: Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 8191 - 8195
• a: 13.7264 ± 0.0008 Å
• b: 8.0434 ± 0.0004 Å
• c: 22.4695 ± 0.0013 Å
• α: 90°
• β: 97.451 ± 0.006°
• γ: 90°
• Cell volume: 2459.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No