Information card for entry 4130410

Structure parameters

• Formula: C141 H73.5 Cl25.5 O12
• Calculated formula: C141 H73.5 Cl25.5 O12
• Title of publication: A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.
• Authors of publication: Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6617 - 6628
• a: 15.3971 ± 0.0011 Å
• b: 17.5779 ± 0.0009 Å
• c: 26.0548 ± 0.0013 Å
• α: 88.62 ± 0.004°
• β: 87.381 ± 0.005°
• γ: 65.012 ± 0.006°
• Cell volume: 6384.9 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2597
• Residual factor for significantly intense reflections: 0.1413
• Weighted residual factors for significantly intense reflections: 0.3875
• Weighted residual factors for all reflections included in the refinement: 0.4324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No