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Information card for entry 4125128
Preview
Coordinates | 4125128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 O8 |
---|---|
Calculated formula | C23 H24 O8 |
SMILES | O(c1cc(ccc1OC)[C@H]1Oc2c(cc(cc2OC)/C=C/C(=O)OC)[C@@H]1C(=O)OC)C.O(c1cc(ccc1OC)[C@@H]1Oc2c(cc(cc2OC)/C=C/C(=O)OC)[C@H]1C(=O)OC)C |
Title of publication | Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent. |
Authors of publication | Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 28 |
Pages of publication | 8900 - 8911 |
a | 4.581 ± 0.016 Å |
b | 20.94 ± 0.06 Å |
c | 21.9 ± 0.07 Å |
α | 90° |
β | 92.86 ± 0.05° |
γ | 90° |
Cell volume | 2098 ± 12 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1803 |
Residual factor for significantly intense reflections | 0.1345 |
Weighted residual factors for significantly intense reflections | 0.3222 |
Weighted residual factors for all reflections included in the refinement | 0.3809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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