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Information card for entry 7216291
Preview
Coordinates | 7216291.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H13 N O5 |
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Calculated formula | C12 H13 N O5 |
SMILES | O([C@H]1[C@H]2OC[C@@H](O)[C@H]2OC1)C(=O)c1ccncc1 |
Title of publication | Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks |
Authors of publication | Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois |
Journal of publication | CrystEngComm |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 73 |
Pages of publication | 414 |
a | 7.7049 ± 0.0003 Å |
b | 6.3055 ± 0.0004 Å |
c | 12.133 ± 0.0008 Å |
α | 90° |
β | 98.964 ± 0.004° |
γ | 90° |
Cell volume | 582.26 ± 0.06 Å3 |
Cell temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/7216291.html
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Users of the data should acknowledge the original authors of the
structural data.