Information card for entry 4132530

Structure parameters

• Formula: C141 H157 Cl15 N10 O0 Zn2
• Calculated formula: C141 H157 Cl15 N10 Zn2
• Title of publication: X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.
• Authors of publication: Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 27
• Pages of publication: 8392 - 8395
• a: 18.8651 ± 0.0007 Å
• b: 19.7892 ± 0.0008 Å
• c: 20.6097 ± 0.0008 Å
• α: 69.546 ± 0.004°
• β: 85.836 ± 0.003°
• γ: 67.732 ± 0.004°
• Cell volume: 6655.5 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1748
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No