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Information card for entry 2232924
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| Coordinates | 2232924.cif |
|---|---|
| Structure factors | 2232924.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[2-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
|---|---|
| Formula | C15 H21 N2 O4 |
| Calculated formula | C15 H21 N2 O4 |
| SMILES | C1(C(C)(C)N(=C(c2ccccc2OCCO)[N]1=O)=O)(C)C |
| Title of publication | 2-[2-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide |
| Authors of publication | Jing, Lin-Lin; Ma, Hui-Ping; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3503 |
| a | 14.458 ± 0.007 Å |
| b | 10.187 ± 0.005 Å |
| c | 10.67 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1571.5 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (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 2/23/29. |
2232924.cif 2232924.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. |
2232924.cif 2232924.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232924.cif 2232924.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. | 2232924.cif 2232924.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232924.cif 2232924.hkl |
| 31810 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232924 via cif-deposit CGI script. |
2232924.cif |
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Users of the data should acknowledge the original authors of the
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