Information card for entry 1543838

Structure parameters

• Chemical name: 5,10,15-Tris(pentafluorophenyl)-21,22-dimethylcorrole
• Formula: C39 H15 F15 N4
• Calculated formula: C39 H15 F15 N4
• SMILES: Fc1c(F)c(F)c(F)c(C2=c3n(c(=C(c4nc(=C(c5c(F)c(F)c(F)c(F)c5F)c5n(C)c(c6[nH]c2cc6)cc5)cc4)c2c(F)c(F)c(F)c(F)c2F)cc3)C)c1F
• Title of publication: Doubly N-Methylated Porphyrinoids.
• Authors of publication: Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 3006 - 3009
• a: 29.84 ± 0.03 Å
• b: 85.63 ± 0.07 Å
• c: 5.44 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13900 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1793
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.736
• Diffraction radiation wavelength: 0.78203 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No