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Information card for entry 7156005
Preview
Coordinates | 7156005.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H24 O7 |
---|---|
Calculated formula | C18 H24 O7 |
SMILES | O(c1c(OC)cc(cc1OC)[C@@H](OC(=O)OC)C=C)C(=O)C(C)(C)C |
Title of publication | Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics. |
Authors of publication | Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 2 |
Pages of publication | 266 - 273 |
a | 12.308 ± 0.007 Å |
b | 6.22 ± 0.003 Å |
c | 13.145 ± 0.007 Å |
α | 90° |
β | 108.591 ± 0.011° |
γ | 90° |
Cell volume | 953.8 ± 0.9 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0352 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0869 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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