Information card for entry 7233863

Structure parameters

• Formula: C36 H48 B N S4
• Calculated formula: C36 H48 B N S4
• SMILES: s1c(cc2B3N(c4c(c12)sc(c4)CCCCC)c1cc(sc1c1sc(cc31)CCCCC)CCCCC)CCCCC
• Title of publication: Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes
• Authors of publication: Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8152 - 8161
• a: 8.4695 ± 0.0017 Å
• b: 13.03 ± 0.003 Å
• c: 16.2 ± 0.003 Å
• α: 99.16 ± 0.03°
• β: 96.39 ± 0.03°
• γ: 104.33 ± 0.03°
• Cell volume: 1688.7 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No