Information card for entry 4029753

Structure parameters

• Formula: C18 H10 S2
• Calculated formula: C18 H10 S2
• SMILES: s1c2c(c3c4c5ccccc5sc4ccc13)cccc2
• Title of publication: The efficient synthesis of dibenzo[d,d']benzo[1,2-b:4,3-b']dithiophene and cyclopenta[1,2-b:4,3-b']bis(benzo[d]thiophen)-6-one.
• Authors of publication: Wang, Zhihua; Zhu, Sheng; Shi, Jianwu; Wang, Hua
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2009
• Journal volume: 5
• Pages of publication: 55
• a: 3.9971 ± 0.0016 Å
• b: 10.334 ± 0.004 Å
• c: 31.473 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No