Information card for entry 4108796

Structure parameters

• Formula: C104 H68 N6 O
• Calculated formula: C104 H67.9998 N6 O
• Title of publication: A Facile One-Pot Synthesis of meso-Aryl-Substituted [14]Triphyrin(2.1.1)
• Authors of publication: Zhao-Li Xue; Zhen Shen; John Mack; Daiki Kuzuhara; Hiroko Yamada; Tetsuo Okujima; Noboru Ono; Xiao-Zeng You; Nagao Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16478 - 16479
• a: 10.5097 ± 0.0007 Å
• b: 13.7167 ± 0.0009 Å
• c: 27.347 ± 0.002 Å
• α: 76.727 ± 0.002°
• β: 83.313 ± 0.004°
• γ: 76.375 ± 0.003°
• Cell volume: 3720.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No