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Information card for entry 1542616
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Coordinates | 1542616.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H38 Cl3 |
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Calculated formula | C57 H38 Cl3 |
Title of publication | Development of a transition metal-free polymerization route to functional conjugated polydiynes from a haloalkyne-based organic reaction |
Authors of publication | Zhang, Yun; Zhao, Engui; Deng, Haiqin; Lam, Jacky W. Y.; Tang, Ben Zhong |
Journal of publication | Polym. Chem. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 14 |
Pages of publication | 2492 |
a | 9.65924 ± 0.00008 Å |
b | 9.12014 ± 0.00009 Å |
c | 50.6162 ± 0.0005 Å |
α | 90° |
β | 91.6555 ± 0.0009° |
γ | 90° |
Cell volume | 4457.1 ± 0.07 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 3 |
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 | 0.0973 |
Residual factor for significantly intense reflections | 0.0895 |
Weighted residual factors for significantly intense reflections | 0.2148 |
Weighted residual factors for all reflections included in the refinement | 0.2208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1542616.html
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structural data.