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Information card for entry 1504866
Preview
Coordinates | 1504866.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BJA-692 |
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Formula | C17 H17 B I P |
Calculated formula | C17 H17 B I P |
SMILES | C(c1cccc2cccc(c12)I)[PH](c1ccccc1)[BH3] |
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 | 17.355 ± 0.003 Å |
b | 5.8125 ± 0.0009 Å |
c | 16.063 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1620.4 ± 0.5 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0384 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1504866.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. |
1504866.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504866.cif |
42425 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504866, 1504867, 1504868, 1504869, 1504870, 1504871 via cif-deposit CGI script. |
1504866.cif |
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Users of the data should acknowledge the original authors of the
structural data.