Information card for entry 2226829

Structure parameters

• Common name: 5,8-Dibromo-14,15,17,18-tetramethyl-2,11-dithia[3.3]paracyclophane
• Chemical name: 1^2^,1^5^-Dibromo-5^2^,5^3^,5^5^,5^6^-tetramethyl-3,7-dithia- 1,5(1,4)-dibenzenacyclooctaphane
• Formula: C20 H22 Br2 S2
• Calculated formula: C20 H22 Br2 S2
• SMILES: Brc1c2cc(Br)c(c1)CSCc1c(c(c(CSC2)c(c1C)C)C)C
• Title of publication: 5,8-Dibromo-14,15,17,18-tetramethyl-2,11-dithia[3.3]paracyclophane
• Authors of publication: Huang, Shuyuan; Wang, Qianqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1993
• a: 15.298 ± 0.003 Å
• b: 12.34 ± 0.002 Å
• c: 10.016 ± 0.0018 Å
• α: 90°
• β: 91.864 ± 0.003°
• γ: 90°
• Cell volume: 1889.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes