Information card for entry 4503401

Structure parameters

• Formula: C102 H116 Br10 Cu10 N12 O
• Calculated formula: C102 H116 Br10 Cu10 N12 O
• 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
• a: 11.0486 ± 0.0007 Å
• b: 15.485 ± 0.001 Å
• c: 16.3158 ± 0.0011 Å
• α: 102.043 ± 0.001°
• β: 102.727 ± 0.001°
• γ: 94.078 ± 0.002°
• Cell volume: 2642.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No