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Information card for entry 2236539
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| Coordinates | 2236539.cif |
|---|---|
| Structure factors | 2236539.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>E</i>,2<i>E</i>)-1,2-Bis[(1-benzyloxymethyl-1<i>H</i>-indol- 3-yl)methylidene]hydrazine |
|---|---|
| Formula | C34 H30 N4 O2 |
| Calculated formula | C34 H30 N4 O2 |
| SMILES | c1ccc(cc1)COCn1cc(c2c1cccc2)/C=N/N=C/c1cn(c2c1cccc2)COCc1ccccc1 |
| Title of publication | (1<i>E</i>,2<i>E</i>)-1,2-Bis[(1-benzyloxymethyl-1<i>H</i>-indol-3-yl)methylidene]hydrazine |
| Authors of publication | Myers, Jacob A.; Fronczek, Frank R.; Watkins, Steven F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | o3158 |
| a | 12.8518 ± 0.001 Å |
| b | 7.9663 ± 0.0009 Å |
| c | 13.681 ± 0.0012 Å |
| α | 90° |
| β | 103.672 ± 0.005° |
| γ | 90° |
| Cell volume | 1361 ± 0.2 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Cell measurement pressure | 101.3 kPa |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236539.cif 2236539.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. |
2236539.cif 2236539.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236539.cif 2236539.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. | 2236539.cif 2236539.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236539.cif 2236539.hkl |
| 70116 | 2012-12-21 | cif/ Adding structures of 2236539 via cif-deposit CGI script. |
2236539.cif |
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Users of the data should acknowledge the original authors of the
structural data.