Information card for entry 4033950

Structure parameters

• Formula: C460 H251 Cl7
• Calculated formula: C460 H251 Cl7
• Title of publication: Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.
• Authors of publication: Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3500 - 3507
• a: 19.82 ± 0.004 Å
• b: 20.51 ± 0.004 Å
• c: 38.69 ± 0.008 Å
• α: 81.65 ± 0.03°
• β: 78.06 ± 0.03°
• γ: 77.99 ± 0.03°
• Cell volume: 14965 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1772
• Residual factor for significantly intense reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.3685
• Weighted residual factors for all reflections included in the refinement: 0.4073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.621
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No