Information card for entry 4132532

Structure parameters

• Formula: C293.49 H319.68 Cl5.64 N19.83 O4.62 Zn4
• Calculated formula: C293.492 H319.686 Cl5.638 N19.832 O4.622 Zn4
• 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: 17.92 ± 0.0002 Å
• b: 40.8305 ± 0.0003 Å
• c: 18.667 ± 0.0001 Å
• α: 90°
• β: 105.355 ± 0.001°
• γ: 90°
• Cell volume: 13170.8 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No