Information card for entry 7218742

Structure parameters

• Formula: C14 H4 S12
• Calculated formula: C14 H4 S12
• SMILES: C1=CSC2=C(S1)SC(=C1SC3SC(=C4SC5=C(SC=CS5)S4)SC=3S1)S2
• 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: 6.2212 ± 0.0003 Å
• b: 6.4416 ± 0.0003 Å
• c: 12.32 ± 0.0006 Å
• α: 96.924 ± 0.004°
• β: 103.818 ± 0.004°
• γ: 97.07 ± 0.004°
• Cell volume: 469.99 ± 0.04 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No