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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 |
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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
structural data.