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Information card for entry 1504869
Preview
| Coordinates | 1504869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BJA-978 |
|---|---|
| Formula | C22 H22 B Fe P |
| Calculated formula | C22 H22 B Fe P |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C[P@@]1([BH3])Cc2cccc3cccc1c23)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes. |
| Authors of publication | Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 20 |
| Pages of publication | 4425 - 4428 |
| a | 6.287 ± 0.0003 Å |
| b | 12.6614 ± 0.0005 Å |
| c | 22.687 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1805.94 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1504869.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504869.cif |
| 42425 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504866, 1504867, 1504868, 1504869, 1504870, 1504871 via cif-deposit CGI script. |
1504869.cif |
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Users of the data should acknowledge the original authors of the
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