Information card for entry 7031416

Structure parameters

• Formula: C26 H36 Cu F6 N4 O7 S2
• Calculated formula: C26 H36 Cu F6 N4 O7 S2
• SMILES: [Cu]123([n]4ccccc4[C@H]([NH]1[C@@H]1CCCC[C@H]1[NH]2[C@@H](c1[n]3cccc1)C)C)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O1CCCC1
• Title of publication: Synthesis and characterization of new chiral Cu(ii)-N4 complexes and their application in the asymmetric aza-Henry reaction.
• Authors of publication: Das, Anjan; Kureshy, Rukhsana I.; Maity, Nabin Ch; Subramanian, P. S.; Khan, Noor-Ul H; Abdi, Sayed H. R.; Suresh, E.; Bajaj, Hari C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12357 - 12364
• a: 12.485 ± 0.002 Å
• b: 8.9394 ± 0.0014 Å
• c: 14.694 ± 0.002 Å
• α: 90°
• β: 99.993 ± 0.003°
• γ: 90°
• Cell volume: 1615.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No