Information card for entry 1502305

Structure parameters

• Formula: C155 H135 Cl9 O2 S6
• Calculated formula: C154.98 H135 Cl9 O1.99 S6
• Title of publication: Synthesis and properties of novel C3-symmetric coplanar chromophores.
• Authors of publication: Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4168 - 4171
• a: 22.5627 ± 0.0001 Å
• b: 22.5627 ± 0.0001 Å
• c: 43.5749 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19211 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No