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Information card for entry 7026983
Preview
| Coordinates | 7026983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103 H94 F12 N10 O12 Ru |
|---|---|
| Calculated formula | C103 H86 F12 N10 O12 Ru |
| SMILES | [Ru]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)cc2)c1ccccc1NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)cc3)c1ccccc1NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)cc6)c1ccccc1NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)([NH2][C@H](C(=O)OC)C(C)C)[NH2][C@H](C(=O)OC)C(C)C.c1ccc(cc1)C |
| Title of publication | Chiral recognition of amino esters by ruthenium porphyrin complexes and crystal structure of {5,10,15,20-tetrakis[o-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoylamino)phenyl]porphyrin}bis(L-valine methyl ester)ruthenium(II) (α,α,β,β isomer) |
| Authors of publication | Morice, Christophe; Le Maux, Paul; Simonneaux, Gérard; Toupet, Loic |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 24 |
| Pages of publication | 4165 |
| a | 15.199 ± 0.003 Å |
| b | 16.372 ± 0.004 Å |
| c | 37.318 ± 0.013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9286 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179975 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/69. |
7026983.cif |
| 94897 | 2014-01-28 | cif/ Adding structures of 7026983 via cif-deposit CGI script. |
7026983.cif |
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