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Information card for entry 2237040
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| Coordinates | 2237040.cif |
|---|---|
| Structure factors | 2237040.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Dibenzyl-2-(2-chlorophenyl)-4-methylimidazolidine |
|---|---|
| Formula | C24 H25 Cl N2 |
| Calculated formula | C24 H25 Cl N2 |
| Title of publication | 1,3-Dibenzyl-2-(2-chlorophenyl)-4-methylimidazolidine |
| Authors of publication | Rivera, Augusto; Cardenas, Lorena; Ríos-Motta, Jaime; Eigner, Václav; Dušek, Michal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3427 - o3428 |
| a | 7.1858 ± 0.0001 Å |
| b | 9.8577 ± 0.0002 Å |
| c | 29.331 ± 0.0005 Å |
| α | 90° |
| β | 96.8591 ± 0.0015° |
| γ | 90° |
| Cell volume | 2062.8 ± 0.06 Å3 |
| Cell temperature | 119.9 ± 0.6 K |
| Ambient diffraction temperature | 119.9 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.91 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237040.cif 2237040.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2237040.cif 2237040.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237040.cif 2237040.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. | 2237040.cif 2237040.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. |
2237040.cif 2237040.hkl |
| 71316 | 2013-01-18 | cif/ Adding structures of 2237040 via cif-deposit CGI script. |
2237040.cif |
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Users of the data should acknowledge the original authors of the
structural data.