Information card for entry 7153543

Structure parameters

• Formula: C68 H62 N4
• Calculated formula: C68 H62 N4
• Title of publication: Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations
• Authors of publication: Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 23
• Pages of publication: 3442 - 3447
• a: 10.785 ± 0.002 Å
• b: 14.2 ± 0.003 Å
• c: 17.438 ± 0.004 Å
• α: 94.857 ± 0.004°
• β: 102.039 ± 0.005°
• γ: 90.567 ± 0.004°
• Cell volume: 2601.4 ± 0.9 ų
• Cell temperature: 203.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No