Information card for entry 4123222

Structure parameters

• Formula: C124 H114 Cl2 N8 Ni2
• Calculated formula: C124 H114 Cl2 N8 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: 28.301 ± 0.007 Å
• b: 13.754 ± 0.003 Å
• c: 29.505 ± 0.008 Å
• α: 90°
• β: 118.384 ± 0.003°
• γ: 90°
• Cell volume: 10104 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No