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Information card for entry 1558896
Preview
Coordinates | 1558896.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 O2 |
---|---|
Calculated formula | C18 H20 O2 |
SMILES | OC[C@H]1[C@H]([C@H](CO)[C@@H]1c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and characterization of BPA-free polyesters by incorporating a semi-rigid cyclobutanediol monomer |
Authors of publication | Shahni, Rahul K.; Mabin, Micah; Wang, Zhihan; Shaik, Muneer; Ugrinov, Angel; Chu, Qianli R. |
Journal of publication | Polymer Chemistry |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 37 |
Pages of publication | 6081 - 6090 |
a | 17.9616 ± 0.0007 Å |
b | 7.6761 ± 0.0003 Å |
c | 21.5205 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2967.1 ± 0.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 109.99 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0825 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.204 |
Weighted residual factors for all reflections included in the refinement | 0.2071 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1558896.html
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