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Information card for entry 1507260
Preview
| Coordinates | 1507260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 01348 |
|---|---|
| Formula | C25 H34 O3 |
| Calculated formula | C25 H34 O3 |
| SMILES | O1[C@H](CC=C(CC[C@@]2([C@H]3CCCC(C3=CC[C@@H]2C)(C)C)C)C1=O)c1ccoc1 |
| Title of publication | Total synthesis and stereochemistry of (-)-cacospongionolide F. |
| Authors of publication | Demeke, Damtew; Forsyth, Craig J. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 7 |
| Pages of publication | 991 - 994 |
| a | 6.2563 ± 0.0013 Å |
| b | 6.9299 ± 0.0014 Å |
| c | 13.824 ± 0.003 Å |
| α | 80.507 ± 0.003° |
| β | 77.19 ± 0.003° |
| γ | 68.994 ± 0.003° |
| Cell volume | 543.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1507260.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507260.cif |
| 176729 | 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. |
1507260.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 {}' |
1507260.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507260.cif |
| 53774 | 2012-04-20 | cif/ Adding structures of 1507260, 1507261 via cif-deposit CGI script. |
1507260.cif |
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Users of the data should acknowledge the original authors of the
structural data.