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Information card for entry 7211322
Preview
Coordinates | 7211322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H18 O5 |
---|---|
Calculated formula | C16 H18 O5 |
SMILES | c1(c(cc(c2c(cccc12)OCOC)O)C(=O)CCC)O |
Title of publication | Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones |
Authors of publication | Mitchell, Lorna J.; Lewis, William; Moody, Christopher J. |
Journal of publication | Green Chemistry |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 10 |
Pages of publication | 2830 |
a | 15.7243 ± 0.0011 Å |
b | 5.0123 ± 0.0003 Å |
c | 18.5815 ± 0.0012 Å |
α | 90° |
β | 107.285 ± 0.007° |
γ | 90° |
Cell volume | 1398.36 ± 0.17 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0436 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~2,3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7211322.html
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Users of the data should acknowledge the original authors of the
structural data.