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Information card for entry 2018019
Preview
| Coordinates | 2018019.cif |
|---|---|
| Structure factors | 2018019.hkl |
| Original IUCr paper | HTML |
| Common name | N-BenzylTIQdiphenyltrimethylsilyl |
|---|---|
| Chemical name | (1<i>R</i>,3<i>S</i>)-2-benzyl-3-[diphenyl(trimethylsiloxy)methyl]- 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline |
| Formula | C40 H43 N O3 Si |
| Calculated formula | C40 H43 N O3 Si |
| SMILES | [Si](OC([C@H]1N([C@@H](c2cc(OC)c(OC)cc2C1)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1)(C)(C)C |
| Title of publication | Optically active diaryl tetrahydroisoquinoline derivatives |
| Authors of publication | Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | o100 - o103 |
| a | 11.045 ± 0.01 Å |
| b | 17.008 ± 0.015 Å |
| c | 18.489 ± 0.015 Å |
| α | 90° |
| β | 105.287 ± 0.015° |
| γ | 90° |
| Cell volume | 3350 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1025 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80. |
2018019.cif 2018019.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018019.cif 2018019.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018019.cif 2018019.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. | 2018019.cif 2018019.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018019.cif 2018019.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2018019.cif 2018019.hkl |
| 17562 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018018, 2018019 via cif-deposit CGI script. |
2018019.cif |
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Users of the data should acknowledge the original authors of the
structural data.