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Information card for entry 7150452
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Coordinates | 7150452.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound X |
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Formula | C18 H34 O5 Si |
Calculated formula | C18 H34 O5 Si |
SMILES | [Si](OCC[C@@H]1[C@H]2CC([C@]2(OC1=O)[C@H](O)CO)(C)C)(C)(C)C(C)(C)C.[Si](OCC[C@H]1[C@@H]2CC([C@@]2(OC1=O)[C@@H](O)CO)(C)C)(C)(C)C(C)(C)C |
Title of publication | The first synthetic studies on pestalotiopsin A. A stereocontrolled approach to the functionalised bicyclic coreElectronic supplementary information (ESI) available: crystal structure analysis of 18a. See http://www.rsc.org/suppdata/ob/b2/b209066j/ |
Authors of publication | Johnston, Derek; Couché, Emmanuel; Edmonds, David J.; Muir, Kenneth W.; Procter, David J. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2003 |
Journal volume | 1 |
Journal issue | 2 |
Pages of publication | 328 |
a | 12.677 ± 0.0002 Å |
b | 12.7397 ± 0.0002 Å |
c | 13.0974 ± 0.0002 Å |
α | 102.147 ± 0.001° |
β | 95.218 ± 0.001° |
γ | 91.166 ± 0.001° |
Cell volume | 2057.62 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0492 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
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 |
---|---|---|---|
213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7150452.cif |
180290 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/04. |
7150452.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150452.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150452.cif |
3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7150452.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7150452.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7150452.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7150452.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7150452.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7150452.cif |
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Users of the data should acknowledge the original authors of the
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