Information card for entry 1506201

Structure parameters

• Formula: C46 H38 Cl4 S2
• Calculated formula: C46 H38 Cl4 S2
• Title of publication: Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.
• Authors of publication: Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5033 - 5036
• a: 10.3765 ± 0.0002 Å
• b: 10.4444 ± 0.0002 Å
• c: 10.7639 ± 0.0002 Å
• α: 107.404 ± 0.001°
• β: 109.796 ± 0.001°
• γ: 99.034 ± 0.001°
• Cell volume: 1003.08 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No