Information card for entry 4024907

Structure parameters

• Formula: C30 H28 F6 N4 O4 Zn
• Calculated formula: C30 H28 F6 N4 O4 Zn
• SMILES: C1COC2=C(C3=[N](CCO3)[Zn]3(N12)N1CCOC1=C(C1=[N]3CCO1)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F
• Title of publication: Switchable Reactions of Cyclopropanes with Enol Silyl Ethers. Controllable Synthesis of Cyclopentanes and 1,6-Dicarbonyl Compounds
• Authors of publication: Jian-Ping Qu; Chao Deng; Jian Zhou; Xiu-Li Sun; Yong Tang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7684 - 7689
• a: 12.8153 ± 0.0018 Å
• b: 17.4849 ± 0.0018 Å
• c: 14.9184 ± 0.0018 Å
• α: 90°
• β: 115.128 ± 0.003°
• γ: 90°
• Cell volume: 3026.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No