Information card for entry 7116294

Structure parameters

• Common name: C5-NT4N
• Formula: C30 H28 N2 O4 S4
• Calculated formula: C30 H28 N2 O4 S4
• SMILES: c1(c2sc3c(c2)C(=O)N(C3=O)CCCCC)sc(c2ccc(c3cc4C(=O)N(C(=O)c4s3)CCCCC)s2)cc1
• 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: 5.289 ± 0.002 Å
• b: 5.474 ± 0.002 Å
• c: 25.81 ± 0.02 Å
• α: 85.15 ± 0.05°
• β: 84.36 ± 0.04°
• γ: 87.27 ± 0.03°
• Cell volume: 740.4 ± 0.7 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: 0.3652
• Residual factor for significantly intense reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.4279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No