Information card for entry 4503402

Structure parameters

• Formula: C21 H19 Br Cu N3 O4
• Calculated formula: C21 H15 Br Cu N3 O4
• Title of publication: Copper(I) Bromide-Mediated Coupling of Imidazoles. Trapping and X-Ray Crystal Structures of the Reaction Intermediates
• Authors of publication: Huang, Xue-Feng; Fu, Da-Wei; Xiong, Ren-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1795 - 1797
• a: 7.5923 ± 0.0017 Å
• b: 18.203 ± 0.004 Å
• c: 30.102 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4160.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.702
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No