Information card for entry 4113184

Structure parameters

• Formula: C50 H42 Br4 S14 Si4
• Calculated formula: C50 H42 Br4 S14 Si4
• SMILES: s1c(c(Br)c2c3c4c5c6c7c(c(sc7sc6sc5Sc5sc6sc7sc(c(Br)c7c6c5c5c6c7c(Br)c(sc7sc6sc5Sc4sc3sc12)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)Br)[Si](C)(C)C.c1ccccc1
• Title of publication: Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene
• Authors of publication: Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15211 - 15222
• a: 8.1993 ± 0.0003 Å
• b: 10.5684 ± 0.0004 Å
• c: 18.3955 ± 0.0007 Å
• α: 91.34 ± 0.001°
• β: 92.771 ± 0.001°
• γ: 110.617 ± 0.001°
• Cell volume: 1488.81 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No