Information card for entry 7119006

Structure parameters

• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• SMILES: c1(ccc(C(=O)c2cc(OC)c(cc2)OC)[nH]1)c1ccc(C(=O)c2cc(c(cc2)OC)OC)[nH]1
• Title of publication: Dimension-controlled assemblies of modified bipyrroles stabilized by electron-withdrawing moieties
• Authors of publication: Kazuto Nakamura; Nobuhiro Yasuda; Hiromitsu Maeda
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7157
• a: 15.361 ± 0.004 Å
• b: 4.955 ± 0.0013 Å
• c: 14.843 ± 0.004 Å
• α: 90°
• β: 98.245 ± 0.007°
• γ: 90°
• Cell volume: 1118.1 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No