Information card for entry 7151535

Structure parameters

• Formula: C48 H18 Cl8 F12 N4
• Calculated formula: C48 H18 Cl8 F12 N4
• 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: 14.995 ± 0.003 Å
• b: 12.084 ± 0.002 Å
• c: 15.045 ± 0.003 Å
• α: 90°
• β: 116.761 ± 0.004°
• γ: 90°
• Cell volume: 2434.2 ± 0.8 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.665
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No