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Information card for entry 1508506
Preview
| Coordinates | 1508506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H42 Cu N6 O7 S2 |
|---|---|
| Calculated formula | C47 H42 Cu N6 O7 S2 |
| SMILES | [Cu]123n4c5=C(c6[n]3c(=Cc3n2c(C(=c2[n]1c(C=c4cc5)cc2)c1cc[n+](cc1)C)cc3)cc6)c1cc[n+](cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.OC |
| Title of publication | Cationic copper(II) porphyrins intercalate into domains of double-stranded RNA. |
| Authors of publication | Briggs, Breeze N.; Gaier, Abby J.; Fanwick, Phillip E.; Dogutan, Dilek K.; McMillin, David R. |
| Journal of publication | Biochemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Journal issue | 38 |
| Pages of publication | 7496 - 7505 |
| a | 27.7209 ± 0.0019 Å |
| b | 8.846 ± 0.0002 Å |
| c | 17.442 ± 0.0003 Å |
| α | 90° |
| β | 105.179 ± 0.007° |
| γ | 90° |
| Cell volume | 4127.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 6 |
| 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 | 0.091 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CU-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
1508506.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508506.cif |
| 113352 | 2014-05-11 | cif/ Updating files of 1508506 Original log message: Adding full bibliography for 1508506.cif. |
1508506.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508506.cif |
| 71424 | 2013-01-19 | cif/ Correcting misattributed bibliographies in the CIFs deposited yesterday by me. |
1508506.cif |
| 71388 | 2013-01-18 | cif/ Adding structures of 1508506 via cif-deposit CGI script. |
1508506.cif |
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Users of the data should acknowledge the original authors of the
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