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Information card for entry 1507459
Preview
| Coordinates | 1507459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H31 Co O0.5 |
|---|---|
| Calculated formula | C36 H31 Co O0.5 |
| Title of publication | Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion |
| Authors of publication | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. |
| Journal of publication | Organic Letters |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 12 |
| Pages of publication | 2075 |
| a | 14.4895 ± 0.0008 Å |
| b | 9.0045 ± 0.0005 Å |
| c | 40.411 ± 0.002 Å |
| α | 90° |
| β | 96.501 ± 0.001° |
| γ | 90° |
| Cell volume | 5238.5 ± 0.5 Å3 |
| Cell temperature | 138.2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.316 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192298 (current) | 2017-02-19 | cif/1/50/74/ (antanas@kurmis) Marking atoms 'C100' and 'C101' as dummy atoms in entry 1507459. |
1507459.cif |
| 189962 | 2017-01-06 | cif/1/50/ (antanas@echidna.ibt.lt) Changing the values of data items related to the _atom_site_label data item (e. g. _geom_bond_atom_site_label_*) to match the _atom_site_label values in entries 1507458, 1507459. |
1507459.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1507459.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507459.cif |
| 53980 | 2012-04-20 | cif/ Adding structures of 1507457, 1507458, 1507459 via cif-deposit CGI script. |
1507459.cif |
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Users of the data should acknowledge the original authors of the
structural data.