Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7151588
Preview
| Coordinates | 7151588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 O2 |
|---|---|
| Calculated formula | C11 H16 O2 |
| Title of publication | Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition. |
| Authors of publication | Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 24 |
| Pages of publication | 4364 - 4366 |
| a | 7.0166 ± 0.0003 Å |
| b | 10.5703 ± 0.0006 Å |
| c | 13.7222 ± 0.0013 Å |
| α | 90° |
| β | 102.88 ± 0.005° |
| γ | 90° |
| Cell volume | 992.13 ± 0.12 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections | 1.031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191942 (current) | 2017-02-09 | cif/7/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '?' to '1' for all fully occupied atom sites in entries 7005392, 7009333, 7009334, 7009336, 7009338, 7009339, 7010628, 7010907, 7010908, 7010910, 7010911, 7011577, 7011578, 7027372, 7050445, 7050815, 7110713, 7110714, 7151588. |
7151588.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7151588.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7151588.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151588.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151588.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151588.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.