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Information card for entry 1503102
Preview
| Coordinates | 1503102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H55 Cl2 N O10 |
|---|---|
| Calculated formula | C36 H51 Cl2 N O10 |
| SMILES | C1(=O)C2=C(O)[C@H]3[C@@H]4[C@@H](C[C@@H](C[C@@H]4[C@@H]4[C@H]([C@@H]3[C@]3([C@H](CCCC[C@@H]([C@H]([C@@H]([C@H]([C@H]([C@H](C(=C\C)\C)O)[O])N(CC2=O)O1)O)O)C)O3)C)O4)C)C.ClCCl |
| Title of publication | Alchivemycin A, a bioactive polycyclic polyketide with an unprecedented skeleton from Streptomyces sp. |
| Authors of publication | Igarashi, Yasuhiro; Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Kan, Yukiko; Fujita, Tsuyoshi; Iwashita, Takashi; Tabata, Hirokazu; Onaka, Hiroyasu; Furumai, Tamotsu |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 15 |
| Pages of publication | 3402 - 3405 |
| a | 10.613 ± 0.003 Å |
| b | 10.756 ± 0.003 Å |
| c | 33.591 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3834.5 ± 1.8 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 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 | 0.1058 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.2069 |
| Weighted residual factors for all reflections included in the refinement | 0.2197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1503102.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503102.cif |
| 37014 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503102 via cif-deposit CGI script. |
1503102.cif |
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Users of the data should acknowledge the original authors of the
structural data.