Information card for entry 7246387

Structure parameters

• Formula: C14 H6 S2
• Calculated formula: C14 H6 S2
• Title of publication: Linear π-conjugated polycyclic compounds consisting of four-, five-, and six-membered rings: benzo[1'',2'':3,4;4'',5'':3',4']bis(cyclobuta[1,2-<i>c</i>]thiophene).
• Authors of publication: Kuroiwa, Tatsuru; Asai, Daisuke; Hashimoto, Shingo; Tahara, Kazukuni
• Journal of publication: RSC advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 4578 - 4583
• a: 12.2173 ± 0.0014 Å
• b: 7.2881 ± 0.0008 Å
• c: 5.772 ± 0.0006 Å
• α: 90°
• β: 90.868 ± 0.01°
• γ: 90°
• Cell volume: 513.89 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1008
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No