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Information card for entry 2228576
Preview
| Coordinates | 2228576.cif |
|---|---|
| Structure factors | 2228576.hkl |
| Original IUCr paper | HTML |
| Chemical name | dicyclohexylaminium (<i>S</i>)-2-(1,3-dioxoisoindolin-2-yl)-3-(1<i>H</i>-indol-3-yl)propanoate dimethylformamide solvate monohydrate |
|---|---|
| Formula | C34 H46 N4 O6 |
| Calculated formula | C34 H46 N4 O6 |
| Title of publication | The dicyclohexylamine salt of RG108 (<i>N</i>-phthalyl-<small>L</small>-tryptophan), a potential epigenetic modulator |
| Authors of publication | Braun, Julie; Boittiaux, Irving; Tilborg, Anaelle; Lambert, Didier; Wouters, Johan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3175 - o3176 |
| a | 9.0884 ± 0.0001 Å |
| b | 15.0206 ± 0.0003 Å |
| c | 24.4749 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3341.15 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (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 2/22/85. |
2228576.cif 2228576.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228576.cif 2228576.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228576.cif 2228576.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. | 2228576.cif 2228576.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228576.cif 2228576.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228576.cif 2228576.hkl |
| 5801 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228572, 2228573, 2228574, 2228575, 2228576, 2228577, 2228578, 2228579, 2228580, 2228581 via cif-deposit CGI script. |
2228576.cif |
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Users of the data should acknowledge the original authors of the
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