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Information card for entry 7013318
Preview
| Coordinates | 7013318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H49 B N2 |
|---|---|
| Calculated formula | C31 H49 B N2 |
| SMILES | B1N([C@@H](C)C([C@@H](N1c1c(cccc1C(C)C)C(C)C)C)(C)C)c1c(cccc1C(C)C)C(C)C.B1N([C@H](C)C([C@H](N1c1c(cccc1C(C)C)C(C)C)C)(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Borane and alane reductions of bulky N,N?-diaryl-1,3-diimines: structural characterization of products and intermediates in the diastereoselective synthesis of 1,3-diaminesElectronic supplementary information (ESI) available: preparative and characterization details; substructure of 5. See http://www.rsc.org/suppdata/dt/b3/b306401h/ |
| Authors of publication | Carey, David T.; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 19 |
| Pages of publication | 3792 |
| a | 8.539 ± 0.008 Å |
| b | 9.459 ± 0.007 Å |
| c | 19.457 ± 0.007 Å |
| α | 102.29 ± 0.05° |
| β | 94.25 ± 0.05° |
| γ | 112.19 ± 0.07° |
| Cell volume | 1401 ± 2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.1298 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.214 |
| Weighted residual factors for all reflections included in the refinement | 0.2562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7013318.cif |
| 179837 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/33. |
7013318.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013318.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013318.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013318.cif |
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