Information card for entry 7238875

Structure parameters

• Formula: C27 H36 Br2 N4 O
• Calculated formula: C27 H36 Br2 N4 O
• Title of publication: Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts
• Authors of publication: Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 18
• Pages of publication: 6334
• a: 6.8588 ± 0.0014 Å
• b: 18.823 ± 0.004 Å
• c: 22.137 ± 0.004 Å
• α: 90°
• β: 93.85 ± 0.03°
• γ: 90°
• Cell volume: 2851.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No