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Information card for entry 8000062
Preview
| Coordinates | 8000062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C29 H22 O5 |
|---|---|
| Calculated formula | C29 H22 O5 |
| SMILES | O1c2c(cccc2C(c2cccc(c12)c1ccc(O)c(c1)C=O)(C)C)c1ccc(O)c(c1)C=O |
| Title of publication | Synthesis of a Cofacial Schiff-Base Dimanganese(III) Complex for Asymmetric Catalytic Oxidation of Sulfides |
| Authors of publication | Masakazu Hirotsu; Naoki Ohno; Takashi Nakajima; Keiji Ueno |
| Journal of publication | Chemistry Letters |
| Year of publication | 2005 |
| Journal volume | 34 |
| Journal issue | 6 |
| Pages of publication | 848 |
| a | 8.668 ± 0.002 Å |
| b | 19.732 ± 0.002 Å |
| c | 13.264 ± 0.002 Å |
| α | 90° |
| β | 91.68 ± 0.02° |
| γ | 90° |
| Cell volume | 2267.6 ± 0.7 Å3 |
| Cell temperature | 295.2 K |
| Ambient diffraction temperature | 295.2 K |
| Number of distinct elements | 3 |
| 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 | 0.2169 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8000062.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8000062.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8000062.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
8000062.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8000062.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8000062.cif |
| 21 | 2008-01-26 | Replacing all my collected files in COD with a newly regenerated CIF files that now have correct syntax. |
8000062.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8000062.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8000062.cif |
| 7 | 2008-01-04 | Adding files that were apparently missing from the Chemistry Letters 2005-2 to 9 deposition. |
8000062.cif |
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Users of the data should acknowledge the original authors of the
structural data.