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Information card for entry 1505443
Preview
Coordinates | 1505443.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H44 N6 O11 |
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Calculated formula | C53 H44 N6 O11 |
SMILES | CC(=O)C.COC(=O)c1cc2Oc3nc(Oc4cc(cc(Oc5nc(Oc(c1)c2OCc1ccccc1)nc(n5)c1ccc(cc1)C)c4OCc1ccccc1)C(=O)OC)nc(n3)c1ccc(cc1)C |
Title of publication | Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines. |
Authors of publication | Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 15 |
Pages of publication | 2847 - 2850 |
a | 13.358 ± 0.003 Å |
b | 13.955 ± 0.003 Å |
c | 15.064 ± 0.003 Å |
α | 62.93 ± 0.03° |
β | 81.83 ± 0.03° |
γ | 69.41 ± 0.03° |
Cell volume | 2340.2 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.3012 |
Residual factor for significantly intense reflections | 0.146 |
Weighted residual factors for significantly intense reflections | 0.3475 |
Weighted residual factors for all reflections included in the refinement | 0.4385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/1505443.html
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Users of the data should acknowledge the original authors of the
structural data.