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Information card for entry 7229346
Preview
Coordinates | 7229346.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Spiro-4S |
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Formula | C157 H168 O10 S4 |
Calculated formula | C157 H168 O10 S4 |
Title of publication | Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes |
Authors of publication | Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 15.9701 ± 0.001 Å |
b | 17.8188 ± 0.0008 Å |
c | 25.3977 ± 0.0011 Å |
α | 86.261 ± 0.004° |
β | 87.234 ± 0.004° |
γ | 63.893 ± 0.005° |
Cell volume | 6474.6 ± 0.6 Å3 |
Cell temperature | 173 ± 0.1 K |
Ambient diffraction temperature | 173 ± 0.1 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 | 0.1912 |
Residual factor for significantly intense reflections | 0.1217 |
Weighted residual factors for significantly intense reflections | 0.3276 |
Weighted residual factors for all reflections included in the refinement | 0.3935 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7229346.html
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structural data.