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Information card for entry 4071901
Preview
| Coordinates | 4071901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H34 Cl2 O2 Os2 |
|---|---|
| Calculated formula | C22 H34 Cl2 O2 Os2 |
| SMILES | [O]1([Os]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)([O]([Os]234561([c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C)Cl)C)Cl)C |
| Title of publication | Osmium-Catalyzed Allylic Alkylation |
| Authors of publication | Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4892 |
| a | 9.072 ± 0.0015 Å |
| b | 16.049 ± 0.003 Å |
| c | 8.2477 ± 0.0014 Å |
| α | 90° |
| β | 102.549 ± 0.003° |
| γ | 90° |
| Cell volume | 1172.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071901.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071901.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071901.cif |
| 44104 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071900, 4071901, 4071902, 4071903 via cif-deposit CGI script. |
4071901.cif |
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