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Information card for entry 1504867
Preview
| Coordinates | 1504867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C17 H14 I P |
|---|---|
| Calculated formula | C17 H14 I P |
| SMILES | Ic1cccc2cccc(CPc3ccccc3)c12 |
| 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 | 13.569 ± 0.003 Å |
| b | 7.0005 ± 0.0017 Å |
| c | 15.273 ± 0.004 Å |
| α | 90° |
| β | 90.503 ± 0.004° |
| γ | 90° |
| Cell volume | 1450.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.769 |
| 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. |
1504867.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. |
1504867.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504867.cif |
| 42425 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504866, 1504867, 1504868, 1504869, 1504870, 1504871 via cif-deposit CGI script. |
1504867.cif |
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Users of the data should acknowledge the original authors of the
structural data.