Information card for entry 7116292

Structure parameters

• Common name: C3-NT4N form B high temperature
• Formula: C13 H10 N O2 S2
• Calculated formula: C13 H10 N O2 S2
• 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: 5.265 ± 0.001 Å
• b: 5.473 ± 0.005 Å
• c: 22.49 ± 0.03 Å
• α: 87.9 ± 0.1°
• β: 87.4 ± 0.06°
• γ: 87.05 ± 0.06°
• Cell volume: 646.1 ± 1.1 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: 0.1256
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No