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Information card for entry 1507004
Preview
| Coordinates | 1507004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H44 N2 O11 |
|---|---|
| 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 |
| 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. |
1507004.cif |
| 132124 | 2015-02-20 | cif/1/50/70/ (antanas@koala.ibt.lt) Replacing value '-' with '?' for the following tags '_chemical_name_common', '_chemical_name_systematic', '_diffrn_standards_decay_%', '_diffrn_standards_interval_count', '_diffrn_standards_interval_time', '_diffrn_standards_number', '_refine_ls_extinction_coef' for CIF 1507004. |
1507004.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1507004.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507004.cif |
| 51601 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507004 via cif-deposit CGI script. |
1507004.cif |
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Users of the data should acknowledge the original authors of the
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