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Information card for entry 4067505
Preview
| Coordinates | 4067505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H28 Cl2 |
|---|---|
| Calculated formula | C43 H28 Cl2 |
| SMILES | c1cccc2c3ccccc3C(c12)=C1C(=C(C1=C1c2ccccc2c2ccccc12)c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication | Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations |
| Authors of publication | Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 3 |
| Pages of publication | 676 |
| a | 8.4832 ± 0.0012 Å |
| b | 14.22 ± 0.002 Å |
| c | 12.4919 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1506.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178566 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75. |
4067505.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067505.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067505.cif |
| 34216 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067503, 4067504, 4067505, 4067506, 4067507, 4067508, 4067509, 4067510, 4067511, 4067512, 4067513 via cif-deposit CGI script. |
4067505.cif |
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Users of the data should acknowledge the original authors of the
structural data.