Information card for entry 1529392

Structure parameters

• Common name: LadderA
• Formula: C32 H36 N2 O2
• Calculated formula: C32 H36 N2 O2
• SMILES: C1(=O)c2ccccc2c2cc3c(c4c(C(=O)N3CCCCCC)cccc4)cc2N1CCCCCC
• Title of publication: Amide-bridged ladder poly(p-phenylene): synthesis by direct arylation and π-stacked assembly
• Authors of publication: Takagi, K.; Kato, R.; Yamamoto, S.; Masu, H.
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 38
• Pages of publication: 6792
• a: 30.3531 ± 0.001 Å
• b: 5.0918 ± 0.0002 Å
• c: 16.0639 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2482.71 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No