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Information card for entry 2233215
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| Coordinates | 2233215.cif |
|---|---|
| Structure factors | 2233215.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
|---|---|
| Formula | C15 H21 N2 O5 |
| Calculated formula | C15 H21 N2 O5 |
| SMILES | c1(c(cc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O)O)OCCO |
| Title of publication | 2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
| Authors of publication | Ma, Hui-Ping; Jing, Lin-Lin; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o218 |
| a | 9.787 ± 0.004 Å |
| b | 9.302 ± 0.003 Å |
| c | 16.657 ± 0.006 Å |
| α | 90° |
| β | 93.525 ± 0.003° |
| γ | 90° |
| Cell volume | 1513.6 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233215.cif 2233215.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233215.cif 2233215.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233215.cif 2233215.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233215.cif 2233215.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233215.cif 2233215.hkl |
| 32274 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233215 via cif-deposit CGI script. |
2233215.cif |
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Users of the data should acknowledge the original authors of the
structural data.