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Information card for entry 7213104
Preview
Coordinates | 7213104.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 O5 |
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Calculated formula | C19 H21 O5 |
Title of publication | Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design |
Authors of publication | Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 1999 |
Journal issue | 11 |
Pages of publication | 2557 |
a | 17.06 ± 0.007 Å |
b | 17.922 ± 0.005 Å |
c | 5.552 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1697.5 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0863 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for all reflections | 0.1252 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Goodness-of-fit parameter for all reflections | 0.916 |
Goodness-of-fit parameter for significantly intense reflections | 1.116 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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