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Information card for entry 1504909
Preview
| Coordinates | 1504909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C36 H36 F12 N2 O6 S2 |
|---|---|
| Calculated formula | C36 H36 F12 N2 O6 S2 |
| SMILES | S(=O)(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1c1c(C(F)(F)F)cc(C(F)(F)F)cc1NS(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)CC2=O)C[C@@]12CC[C@@H](C1(C)C)CC2=O |
| Title of publication | Axial 4,4',6,6'-tetrakis-trifluoromethyl-biphenyl-2,2'-diamine (TF-BIPHAM): resolution and applications in asymmetric hydrogenation. |
| Authors of publication | Wang, Chun-Jiang; Gao, Feng; Liang, Gang |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 21 |
| Pages of publication | 4711 - 4714 |
| a | 13.8439 ± 0.0005 Å |
| b | 14.6436 ± 0.0006 Å |
| c | 37.648 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7632.2 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1067 |
| Residual factor for significantly intense reflections | 0.0886 |
| Weighted residual factors for significantly intense reflections | 0.1961 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1504909.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504909.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504909.cif |
| 42453 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504909 via cif-deposit CGI script. |
1504909.cif |
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