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Information card for entry 7212981
Preview
Coordinates | 7212981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28 O10 |
---|---|
Calculated formula | C24 H28 O10 |
SMILES | O1[C@H](C2(C=C(OC)C(=O)C(=C2)OC)[C@H]([C@@H]1c1cc(OC)c(OC(=O)C)c(OC)c1)C(=O)OC)C.O1[C@@H](C2(C=C(OC)C(=O)C(=C2)OC)[C@@H]([C@H]1c1cc(OC)c(OC(=O)C)c(OC)c1)C(=O)OC)C |
Title of publication | A novel type of spiro compound formed by oxidative cross coupling of methyl sinapate with a syringyl lignin model compound. A model system for the β-1 pathway in lignin biosynthesis |
Authors of publication | Setälä, Harri; Pajunen, Aarne; Rummakko, Petteri; Sipilä, Jussi; Brunow, Gösta |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 1999 |
Journal issue | 4 |
Pages of publication | 461 |
a | 9.133 ± 0.002 Å |
b | 10.921 ± 0.002 Å |
c | 22.979 ± 0.005 Å |
α | 90° |
β | 91.29 ± 0.03° |
γ | 90° |
Cell volume | 2291.4 ± 0.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 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 | 0.1433 |
Residual factor for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections | 0.2004 |
Weighted residual factors for significantly intense reflections | 0.1651 |
Goodness-of-fit parameter for all reflections | 1.027 |
Goodness-of-fit parameter for significantly intense reflections | 1.243 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7212981.html
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Users of the data should acknowledge the original authors of the
structural data.