Information card for entry 1543834

Structure parameters

• Common name: cis-porphyrin
• Chemical name: 21,22-Dimethyl-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin
• Formula: C46 H14 F20 N4
• Calculated formula: C46 H14 F20 N4
• 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: 20.2347 ± 0.001 Å
• b: 20.2347 ± 0.001 Å
• c: 9.6664 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3957.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No