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Information card for entry 1506954
Preview
Coordinates | 1506954.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H28 F12 O2 P2 |
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Calculated formula | C48 H28 F12 O2 P2 |
SMILES | P(=O)(c1c(c2ccccc2cc1)c1c(P(=O)(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)ccc2ccccc12)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F |
Title of publication | Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor. |
Authors of publication | Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 25 |
Pages of publication | 4675 - 4678 |
a | 28.7227 ± 0.0013 Å |
b | 8.4943 ± 0.0004 Å |
c | 17.9976 ± 0.001 Å |
α | 90° |
β | 109.824 ± 0.002° |
γ | 90° |
Cell volume | 4130.8 ± 0.4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1205 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1655 |
Weighted residual factors for all reflections included in the refinement | 0.2044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
1506954.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506954.cif |
51572 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506954 via cif-deposit CGI script. |
1506954.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.