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Information card for entry 4037258
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Coordinates | 4037258.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BillMilesMeEster |
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Formula | C19 H16 O2 |
Calculated formula | C19 H16 O2 |
SMILES | O(C(=O)c1ccc(c2c3c(cccc3C)ccc2)cc1)C |
Title of publication | Through-Space Shielding Effects of Metal-Complexed Phenyl Rings. |
Authors of publication | Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 22 |
Pages of publication | 10791 - 10801 |
a | 27.495 ± 0.003 Å |
b | 7.3998 ± 0.0008 Å |
c | 16.2265 ± 0.0017 Å |
α | 90° |
β | 115.411 ± 0.001° |
γ | 90° |
Cell volume | 2982 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0595 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4037258.html
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Users of the data should acknowledge the original authors of the
structural data.