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Information card for entry 2237132
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| Coordinates | 2237132.cif |
|---|---|
| Structure factors | 2237132.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-{2-Benzyloxy-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole |
|---|---|
| Formula | C26 H27 N3 O2 |
| Calculated formula | C26 H27 N3 O2 |
| SMILES | O(C(Cn1cnc2c1cccc2)c1ccc(N2CCOCC2)cc1)Cc1ccccc1 |
| Title of publication | 1-{2-Benzyloxy-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole |
| Authors of publication | Özel Güven, Özden; Çapanlar, Seval; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o147 - o148 |
| a | 9.4719 ± 0.0003 Å |
| b | 10.5057 ± 0.0003 Å |
| c | 11.811 ± 0.0004 Å |
| α | 96.824 ± 0.003° |
| β | 108.953 ± 0.004° |
| γ | 98.312 ± 0.003° |
| Cell volume | 1082.51 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (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 2/23/71. |
2237132.cif 2237132.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. |
2237132.cif 2237132.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237132.cif 2237132.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. | 2237132.cif 2237132.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237132.cif 2237132.hkl |
| 73341 | 2013-02-20 | cif/ Adding structures of 2237132 via cif-deposit CGI script. |
2237132.cif |
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Users of the data should acknowledge the original authors of the
structural data.