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Information card for entry 2228417
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| Coordinates | 2228417.cif |
|---|---|
| Structure factors | 2228417.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>-Crotylphthalimide |
|---|---|
| Chemical name | 2-[(<i>E</i>)-but-2-en-1-yl]isoindoline-1,3-dione |
| Formula | C12 H11 N O2 |
| Calculated formula | C12 H11 N O2 |
| SMILES | C/C=C/CN1C(=O)c2c(C1=O)cccc2 |
| Title of publication | <i>N</i>-Crotylphthalimide |
| Authors of publication | Flores-Alamo, Marcos; Romero-Quiroz, María del Carmen; Morgado, Jorge |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3209 |
| a | 8.188 ± 0.0004 Å |
| b | 12.083 ± 0.0005 Å |
| c | 10.808 ± 0.0005 Å |
| α | 90° |
| β | 110.431 ± 0.004° |
| γ | 90° |
| Cell volume | 1002.03 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228417.cif 2228417.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2228417.cif 2228417.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228417.cif 2228417.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. | 2228417.cif 2228417.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228417.cif 2228417.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228417.cif 2228417.hkl |
| 5785 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228412, 2228413, 2228414, 2228415, 2228416, 2228417, 2228418, 2228419, 2228420, 2228421 via cif-deposit CGI script. |
2228417.cif |
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Users of the data should acknowledge the original authors of the
structural data.