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Information card for entry 1515319
Preview
| Coordinates | 1515319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H58 N4 O3 Zn |
|---|---|
| Calculated formula | C52 H58 N4 O3 Zn |
| SMILES | CC(=O)c1cc2[n]3c1=Cc1ccc4C(=c5[n]6[Zn]3(n14)([OH2])n1c(=C2c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc(c1=Cc6cc5)C(=O)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C |
| Title of publication | Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions. |
| Authors of publication | Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2012 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 1069 - 1080 |
| a | 8.4036 ± 0.0017 Å |
| b | 15.247 ± 0.003 Å |
| c | 19.754 ± 0.004 Å |
| α | 81.67 ± 0.03° |
| β | 85.68 ± 0.03° |
| γ | 77.22 ± 0.03° |
| Cell volume | 2439.9 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1596 |
| Residual factor for significantly intense reflections | 0.1021 |
| Weighted residual factors for significantly intense reflections | 0.2238 |
| Weighted residual factors for all reflections included in the refinement | 0.2523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515319.cif |
| 111124 | 2014-04-20 | cif/ Adding structures of 1515318, 1515319 via cif-deposit CGI script. |
1515319.cif |
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Users of the data should acknowledge the original authors of the
structural data.