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Information card for entry 4023964
Preview
| Coordinates | 4023964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H52 N4 O4 Zn |
|---|---|
| Calculated formula | C54 H52 N4 O4 Zn |
| SMILES | [Zn]123[n]4c(=Cc5n1c(c(c5C)CC)C)c(c(c4C)CC(=O)Oc1ccc4ccccc4c1c1c4ccccc4ccc1OC(=O)Cc1c(n3c(c1C)C=c1[n]2c(c(c1C)CC)C)C)C |
| Title of publication | Asymmetric Synthesis of Mono- and Dinuclear Bis(dipyrrinato) Complexes |
| Authors of publication | Adeeb Al-Sheikh Ali; Ronald E. Benson; Sascha Blumentritt; T. Stanley Cameron; Anthony Linden; David Wolstenholme; Alison Thompson |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2007 |
| Journal volume | 72 |
| Pages of publication | 4947 - 4952 |
| a | 11.2709 ± 0.0003 Å |
| b | 15.7446 ± 0.0005 Å |
| c | 25.9223 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4600.1 ± 0.2 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178418 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/39. |
4023964.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4023964.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4023964.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. |
4023964.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
4023964.cif |
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