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Information card for entry 1504434
Preview
| Coordinates | 1504434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H17 N O4 |
|---|---|
| Calculated formula | C10 H17 N O4 |
| SMILES | O=C(NC1COC(OC1)OCC)C(=C)C |
| Title of publication | Stereochemical Effect ofTrans/CisIsomers on the Aqueous Solution Properties of Acid-Labile Thermoresponsive Polymers |
| Authors of publication | Huang, Xiaonan; Du, Fusheng; Liang, Dehai; Lin, Shrong-Shi; Li, Zichen |
| Journal of publication | Macromolecules |
| Year of publication | 2008 |
| Journal volume | 41 |
| Journal issue | 14 |
| Pages of publication | 5433 |
| a | 4.9954 ± 0.0001 Å |
| b | 13.3694 ± 0.0003 Å |
| c | 17.6342 ± 0.0005 Å |
| α | 90° |
| β | 94.931 ± 0.001° |
| γ | 90° |
| Cell volume | 1173.35 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1856 |
| Weighted residual factors for all reflections included in the refinement | 0.2105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
1504434.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504434.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504434.cif |
| 42048 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504434 via cif-deposit CGI script. |
1504434.cif |
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Users of the data should acknowledge the original authors of the
structural data.