Information card for entry 7227669

Structure parameters

• Formula: C34 H22 O8
• Calculated formula: C34 H22 O8
• SMILES: c1(cc(c2ccc(cc2)C(=O)O)c(cc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
• Title of publication: Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems
• Authors of publication: Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 19.4377 ± 0.0015 Å
• b: 30.6822 ± 0.0012 Å
• c: 9.1127 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5434.7 ± 0.7 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 253 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.3133
• Weighted residual factors for all reflections included in the refinement: 0.3439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No