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Information card for entry 1507004
Preview
Coordinates | 1507004.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H44 N2 O11 |
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Calculated formula | C38 H44 N2 O11 |
SMILES | c1(c(OC)c(c(OC)c(c1)CC(C)C)COC(=O)c1ccc(cc1)N(=O)=O)C(=O)[C@@H]([C@@H](OC(=O)c1ccc(cc1)N(=O)=O)CCCC=C)CCC.c1(c(OC)c(c(OC)c(c1)CC(C)C)COC(=O)c1ccc(cc1)N(=O)=O)C(=O)[C@H]([C@H](OC(=O)c1ccc(cc1)N(=O)=O)CCCC=C)CCC |
Title of publication | Studies toward the synthesis of luminacin D: assembly of simplified analogues devoid of the epoxide displaying antiangiogenic activity. |
Authors of publication | Davies, Mark W.; Maskell, Lesley; Shipman, Michael; Slawin, Alexandra M. Z.; Vidot, Sandrine M. E.; Whatmore, Jacqueline L. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 22 |
Pages of publication | 3909 - 3912 |
a | 8.9292 ± 0.0017 Å |
b | 13.439 ± 0.003 Å |
c | 16.334 ± 0.003 Å |
α | 109.518 ± 0.003° |
β | 99.424 ± 0.004° |
γ | 93.348 ± 0.004° |
Cell volume | 1809 ± 0.6 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1365 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.166 |
Weighted residual factors for all reflections included in the refinement | 0.2 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1507004.html
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Users of the data should acknowledge the original authors of the
structural data.