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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503102.html
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Users of the data should acknowledge the original authors of the
structural data.