Information card for entry 7117073

Structure parameters

• Formula: C32 H34 Cl2 Cu N2
• Calculated formula: C32 H34 Cl2 Cu N2
• SMILES: Cl[Cu]1([NH](Cc2ccc(c3ccccc3)cc2)[C@H]2[C@H]([NH]1Cc1ccc(c3ccccc3)cc1)CCCC2)Cl.Cl[Cu]1([NH](Cc2ccc(c3ccccc3)cc2)[C@@H]2[C@@H]([NH]1Cc1ccc(c3ccccc3)cc1)CCCC2)Cl
• Title of publication: Solvent-dependent strong asymmetric amplification in the catalytic enantioselective Henry reaction using the trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine-CuCl2 complex
• Authors of publication: Koichi Tanaka; Tomoharu Iwashita; Erika Yoshida; Tomomi Ishikawa; Shinya Otuka; Zofia Urbanczyk-Lipkowska; Hiroki Takahashi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7907
• a: 25.878 ± 0.0006 Å
• b: 10.4574 ± 0.0002 Å
• c: 10.7037 ± 0.0003 Å
• α: 90°
• β: 102.636 ± 0.002°
• γ: 90°
• Cell volume: 2826.44 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No