Information card for entry 7151524

Structure parameters

• Formula: C62 H46 F20 N6 O10
• Calculated formula: C62 H46 F20 N6 O10
• SMILES: c12Cc3[nH]c(Cc4c(c(c(Cc5c(c(c([nH]5)Cc(c(c1c1c(F)c(F)c(c(c1F)F)F)C(=O)OCC)[nH]2)c1c(c(F)c(F)c(F)c1F)F)C(=O)OCC)[nH]4)c1c(F)c(F)c(F)c(F)c1F)C(=O)OCC)c(c3C(=O)OCC)c1c(c(F)c(F)c(F)c1F)F.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at β-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogens
• Authors of publication: Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 21
• Pages of publication: 3857 - 3865
• a: 9.599 ± 0.001 Å
• b: 11.653 ± 0.002 Å
• c: 15.605 ± 0.002 Å
• α: 110.08 ± 0.01°
• β: 95.75 ± 0.01°
• γ: 106.7 ± 0.01°
• Cell volume: 1531.4 ± 0.4 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No