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Information card for entry 7153820
Preview
Coordinates | 7153820.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-(Benzyloxy)-8-(methyl)-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]- 7,8-dihydrofuro[2,3-e]indol |
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Formula | C30 H28 N2 O6 |
Calculated formula | C30 H28 N2 O6 |
SMILES | O(c1cc2cc([nH]c2c(OC)c1OC)C(=O)N1CC(c2c3occc3c(OCc3ccccc3)cc12)C)C |
Title of publication | A versatile synthesis of "tafuramycin A": a potent anticancer and parasite attenuating agent. |
Authors of publication | El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 24 |
Pages of publication | 4260 - 4264 |
a | 19.347 ± 0.003 Å |
b | 10.2965 ± 0.0008 Å |
c | 12.7704 ± 0.0019 Å |
α | 90° |
β | 105.329 ± 0.015° |
γ | 90° |
Cell volume | 2453.4 ± 0.6 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
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 | 0.287 |
Residual factor for significantly intense reflections | 0.0922 |
Weighted residual factors for significantly intense reflections | 0.1759 |
Weighted residual factors for all reflections included in the refinement | 0.2699 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 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/7153820.html
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Users of the data should acknowledge the original authors of the
structural data.