Information card for entry 4003188

Structure parameters

• Common name: DC-NDTI8
• Chemical name: DCNDTI
• Formula: C34 H36 Cl2 N2 O4 S2
• Calculated formula: C34 H36 Cl2 N2 O4 S2
• Title of publication: α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors
• Authors of publication: Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 6418
• a: 5.3741 ± 0.0011 Å
• b: 8.3251 ± 0.0016 Å
• c: 18.155 ± 0.003 Å
• α: 93.296 ± 0.01°
• β: 93.705 ± 0.01°
• γ: 98.532 ± 0.01°
• Cell volume: 799.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No