Information card for entry 1507282

Structure parameters

• Formula: C44 H8 Cu F20 N4
• Calculated formula: C44 H8 Cu F20 N4
• SMILES: [Cu]123[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1c(F)c(F)c(F)c(F)c1F)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).
• Authors of publication: Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1293 - 1296
• a: 20.1647 ± 0.0009 Å
• b: 20.1647 ± 0.0009 Å
• c: 23.941 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8430.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No