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Information card for entry 2239260
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| Coordinates | 2239260.cif |
|---|---|
| Structure factors | 2239260.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2<i>H</i>-indazole |
|---|---|
| Formula | C22 H18 Cl2 N2 O |
| Calculated formula | C22 H18 Cl2 N2 O |
| SMILES | Clc1c(COC(c2ccccc2)Cn2nc3ccccc3c2)c(Cl)ccc1 |
| Title of publication | 2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2<i>H</i>-indazole |
| Authors of publication | Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | o410 |
| a | 15.2399 ± 0.0004 Å |
| b | 5.3814 ± 0.0003 Å |
| c | 23.0461 ± 0.0006 Å |
| α | 90° |
| β | 90.871 ± 0.003° |
| γ | 90° |
| Cell volume | 1889.84 ± 0.13 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239260.cif 2239260.hkl |
| 181311 | 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 2/23/92. |
2239260.cif 2239260.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. |
2239260.cif 2239260.hkl |
| 108832 | 2014-04-03 | cif/ hkl/ Adding structures of 2239260 via cif-deposit CGI script. |
2239260.cif 2239260.hkl |
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