Information card for entry 7150385

Structure parameters

• Formula: C93 H82 Cl4 Cu2 N4 O8
• Calculated formula: C93 H82 Cl4 Cu2 N4 O8
• Title of publication: Synthesis and evaluation of new chiral nonracemic C2-symmetric and unsymmetric 2,2'-bipyridyl ligands.
• Authors of publication: Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 877 - 885
• a: 14.7325 ± 0.0004 Å
• b: 15.2366 ± 0.0002 Å
• c: 19.0213 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4269.77 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6013
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Copper
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No