Information card for entry 7203840

Structure parameters

• Common name: DBAT 2
• Formula: C40 H52 N2 S2
• Calculated formula: C40.005 H52 N2 S2
• Title of publication: Synthesis and characterization of amino-capped oligothiophene-based hole-transport materials
• Authors of publication: Clot, Olivier; Selmarten, Don; McNevin, Michael J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 4934
• a: 12.0888 ± 0.0006 Å
• b: 12.1517 ± 0.0007 Å
• c: 12.8142 ± 0.0006 Å
• α: 84.414 ± 0.001°
• β: 73.161 ± 0.001°
• γ: 87.552 ± 0.002°
• Cell volume: 1792.92 ± 0.16 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2211
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.3438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No