Information card for entry 7150016

Structure parameters

• Formula: C180 H134 N4
• Calculated formula: C108 H62 N4
• Title of publication: Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
• Authors of publication: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 448 - 453
• a: 19.3904 ± 0.001 Å
• b: 19.3904 ± 0.001 Å
• c: 36.077 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13564.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No