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Information card for entry 7111194
Preview
Coordinates | 7111194.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H25 N7 O6 S |
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Calculated formula | C23 H25 N7 O6 S |
SMILES | CC(=O)Nc1cccc(n1)NC(=O)c1cc(cc(C(=O)Nc2cccc(n2)NC(=O)C)n1)O.CS(C)=O |
Title of publication | Hydroxy-substituted oligopyridine dicarboxamide helical foldamers |
Authors of publication | Huc, Ivan; Maurizot, Victor; Gornitzka, Heinz; Léger, Jean-Michel |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 6 |
Pages of publication | 578 |
a | 8.422 ± 0.002 Å |
b | 10.165 ± 0.003 Å |
c | 14.42 ± 0.004 Å |
α | 93.37 ± 0.007° |
β | 91.761 ± 0.005° |
γ | 91.344 ± 0.007° |
Cell volume | 1231.4 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1236 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180225 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/11. |
7111194.cif |
96341 | 2014-01-29 | cif/ Adding structures of 7111194, 7111195, 7111196, 7111197 via cif-deposit CGI script. |
7111194.cif |
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Users of the data should acknowledge the original authors of the
structural data.