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Information card for entry 1507564
Preview
| Coordinates | 1507564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H60 N6 O9 |
|---|---|
| Calculated formula | C53 H60 N6 O9 |
| SMILES | C1CC[C@@]23C[C@H]4C(C5=N(c6c7C=CC(Oc7ccc6[C@]65[C@@H]([C@]4(C(=O)N12)NC3=O)N1[C@]23[C@@H](C[C@@]4(CCCN4C3=O)C1=O)C(c1[nH]c3c4C=CC(Oc4ccc3c1[C@H]62)(C)C)(C)C)(C)C)=O)(C)C.O.OC |
| Title of publication | Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans. |
| Authors of publication | Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H. |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 707 - 715 |
| a | 10.6276 ± 0.0004 Å |
| b | 17.6706 ± 0.0006 Å |
| c | 12.8917 ± 0.0004 Å |
| α | 90° |
| β | 104.187 ± 0.002° |
| γ | 90° |
| Cell volume | 2347.17 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1507564.cif |
| 176729 | 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. |
1507564.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507564.cif |
| 57521 | 2012-05-18 | cif/ Adding structures of 1507564 via cif-deposit CGI script. |
1507564.cif |
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Users of the data should acknowledge the original authors of the
structural data.