Information card for entry 1540034

Structure parameters

• Formula: C32 H28 F6 N8 O4 Zn
• Calculated formula: C32 H28 F6 N8 O4 Zn
• SMILES: [Zn]1(OC(=O)C(F)(F)F)([n]2ccn(c2)Cc2cc(Cn3c[n](cc3)[Zn]([n]3ccn(c3)Cc3cc(Cn4c[n]1cc4)ccc3)(OC(=O)C(F)(F)F)([n]1ccn(c1)Cc1cc(Cn3cncc3)ccc1)(OC(=O)C(F)(F)F)[n]1ccn(c1)Cc1cc(Cn3ccnc3)ccc1)ccc2)OC(=O)C(F)(F)F
• Title of publication: A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand
• Authors of publication: Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1524
• a: 8.8018 ± 0.0015 Å
• b: 9.2775 ± 0.0016 Å
• c: 11.3673 ± 0.0019 Å
• α: 82.433 ± 0.002°
• β: 68.031 ± 0.002°
• γ: 67.635 ± 0.002°
• Cell volume: 796 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0265
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No