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Information card for entry 7002354
Preview
| Coordinates | 7002354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Fe O |
|---|---|
| Calculated formula | C20 H20 Fe O |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)C1=C[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2C1.[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)C1=C[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2C1 |
| Title of publication | Visible light driven room temperature Pauson‒Khand reaction |
| Authors of publication | Coleman, Anthony C.; Long, Conor; Meetsma, Auke; Feringa, Ben L.; Browne, Wesley R.; Pryce, Mary T. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 38 |
| Pages of publication | 7885 - 7887 |
| a | 8.7216 ± 0.0012 Å |
| b | 10.2643 ± 0.0014 Å |
| c | 10.3445 ± 0.0014 Å |
| α | 60.6174 ± 0.0014° |
| β | 88.8587 ± 0.0016° |
| γ | 69.6825 ± 0.0015° |
| Cell volume | 743.79 ± 0.18 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179721 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/23. |
7002354.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7002354.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002354.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002354.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002354.cif |
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