Information card for entry 7103588

Structure parameters

• Formula: C24 H32 Cl Cu N2
• Calculated formula: C24 H32 Cl Cu N2
• SMILES: [Cu](Cl)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Cross-coupling of aryl/heteroaryl bromides with ammonia using a copper-carbene catalyst.
• Authors of publication: Ntaganda, Rukundo; Dhudshia, Bhartesh; Macdonald, Charles L B; Thadani, Avinash N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6200 - 6202
• a: 9.37 ± 0.0017 Å
• b: 9.4399 ± 0.0017 Å
• c: 14.913 ± 0.003 Å
• α: 81.078 ± 0.002°
• β: 85.418 ± 0.002°
• γ: 64.894 ± 0.002°
• Cell volume: 1179.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No