Information card for entry 4130407

Structure parameters

• Formula: C66 H36 O12
• Calculated formula: C66 H36 O12
• SMILES: c1c2c(cc(c1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)C#Cc1c(cc(c(c1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)C#Cc1c(C#C2)cc(c(c1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
• 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: 20.128 ± 0.018 Å
• b: 43.359 ± 0.039 Å
• c: 7.4073 ± 0.0067 Å
• α: 90°
• β: 90.5085 ± 0.0041°
• γ: 90°
• Cell volume: 6464 ± 10 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 n 1
• Hall space group symbol: C -2yac
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No