Information card for entry 7224608

Structure parameters

• Formula: C26 H32 N2 O4
• Calculated formula: C26 H32 N2 O4
• SMILES: C1(=O)C2C(C(=O)N(C=2c2ccco2)CCCCCC)=C(c2ccco2)N1CCCCCC
• Title of publication: Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting
• Authors of publication: Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4285
• a: 28.9402 ± 0.0009 Å
• b: 4.8707 ± 0.0002 Å
• c: 17.3118 ± 0.0006 Å
• α: 90°
• β: 107.785 ± 0.002°
• γ: 90°
• Cell volume: 2323.63 ± 0.15 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No