Information card for entry 4130408

Structure parameters

• Formula: C143 H87 N O27
• Calculated formula: C143 H87 N O27
• 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: 18.238 ± 0.0002 Å
• b: 21.7332 ± 0.0002 Å
• c: 21.6772 ± 0.0002 Å
• α: 105.474 ± 0.0004°
• β: 103.115 ± 0.0005°
• γ: 99.916 ± 0.0009°
• Cell volume: 7812.88 ± 0.14 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1389
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.3683
• Weighted residual factors for all reflections included in the refinement: 0.3903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.655
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No