Information card for entry 7203839

Structure parameters

• Common name: DBAT 1
• Formula: C36 H50 N2 S
• Calculated formula: C36.007 H50 N2 S
• 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: 12.301 ± 0.005 Å
• b: 16.426 ± 0.006 Å
• c: 16.316 ± 0.007 Å
• α: 90°
• β: 99.026 ± 0.009°
• γ: 90°
• Cell volume: 3256 ± 2 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No