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Information card for entry 1564615
Preview
Coordinates | 1564615.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H12 O6 |
---|---|
Calculated formula | C9 H12 O6 |
SMILES | O1[C@H]2[C@H](OC(=O)OC2)[C@H]2OC(O[C@@H]12)(C)C |
Title of publication | Sustainable synthesis of CO2-derived polycarbonates from d-xylose |
Authors of publication | Tran, David K.; Rashad, Ahmed Z.; Darensbourg, Donald J.; Wooley, Karen L. |
Journal of publication | Polymer Chemistry |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 37 |
Pages of publication | 5271 - 5278 |
a | 5.9247 ± 0.0002 Å |
b | 10.1052 ± 0.0004 Å |
c | 16.3411 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 978.35 ± 0.06 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0224 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0565 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269790 (current) | 2021-10-06 | cif/ Updating files of 1564615 Original log message: Adding full bibliography for 1564615.cif. |
1564615.cif |
269096 | 2021-09-11 | cif/ Adding structures of 1564615 via cif-deposit CGI script. |
1564615.cif |
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Users of the data should acknowledge the original authors of the
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