Information card for entry 7207499

Structure parameters

• Formula: C30 H28 N2 O S4
• Calculated formula: C30 H28 N2 O S4
• Title of publication: A new building block, bis(thiophene vinyl)-pyrimidine, for constructing excellent two-photon absorption materials: synthesis, crystal structure and properties
• Authors of publication: Chen, Dugang; Zhong, Cheng; Dong, Xiaohu; Liu, Zhihong; Qin, Jingui
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 4343
• a: 9.9129 ± 0.0008 Å
• b: 31.483 ± 0.002 Å
• c: 18.6483 ± 0.0014 Å
• α: 90°
• β: 105.132 ± 0.002°
• γ: 90°
• Cell volume: 5618.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No