Information card for entry 7116291

Structure parameters

• Common name: C6_Nt$n_Form A
• Formula: C32 H32 N2 O4 S4
• Calculated formula: C32 H32 N2 O4 S4
• SMILES: C(CCC)CCN1C(=O)c2c(sc(c3ccc(c4ccc(c5cc6c(s5)C(=O)N(C6=O)CCCCCC)s4)s3)c2)C1=O
• Title of publication: Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials.
• Authors of publication: Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2033 - 2035
• a: 4.6152 ± 0.0007 Å
• b: 11.558 ± 0.001 Å
• c: 14.422 ± 0.002 Å
• α: 80.38 ± 0.01°
• β: 88.11 ± 0.01°
• γ: 86.45 ± 0.01°
• Cell volume: 756.83 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No