Information card for entry 4123219

Structure parameters

• Formula: C154 H158 Cl3 N10 Ni2
• Calculated formula: C154 H158 Cl3 N10 Ni2
• Title of publication: Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.
• Authors of publication: Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 142 - 145
• a: 18.425 ± 0.005 Å
• b: 27.789 ± 0.007 Å
• c: 26.139 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13383 ± 6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No