Information card for entry 7218746

Structure parameters

• Formula: C14 H6 S12
• Calculated formula: C14 H6 S12
• Title of publication: Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties
• Authors of publication: Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 787
• a: 6.4572 ± 0.0001 Å
• b: 19.2326 ± 0.0002 Å
• c: 24.0962 ± 0.0002 Å
• α: 90°
• β: 97.446 ± 0.001°
• γ: 90°
• Cell volume: 2967.24 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No