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Information card for entry 7150384
Preview
Coordinates | 7150384.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C38 H53 N5 O6 S |
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Calculated formula | C38 H53 N5 O6 S |
SMILES | S(=O)(=O)(NN=CC=C(\C=C\[C@]1(O)C(C\C(=N/N2CCC[C@@H]2COC)c2ccccc12)(C)C)C)c1cccc2c(N(C)C)cccc12.OC.OC |
Title of publication | Synthesis and biological activity of tetralone abscisic acid analogues. |
Authors of publication | Nyangulu, James M.; Nelson, Ken M.; Rose, Patricia A.; Gai, Yuanzhu; Loewen, Mary; Lougheed, Brenda; Quail, J. Wilson; Cutler, Adrian J.; Abrams, Suzanne R. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2006 |
Journal volume | 4 |
Journal issue | 7 |
Pages of publication | 1400 - 1412 |
a | 11.234 ± 0.0002 Å |
b | 16.394 ± 0.0002 Å |
c | 20.993 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3866.28 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150384.cif |
180289 | 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 7/15/03. |
7150384.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150384.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150384.cif |
1650 | 2010-10-21 | cif/{1,7}/ Restoring CIF headers in the recently redeposited RSC-originating CIFs. |
7150384.cif |
1649 | 2010-10-21 | cif/7/ Redepositing the RSC-2006 data: ( set -x; pwd; \ for i in */outputs/numbers.lst; \ do ( \ cd $(dirname $(dirname $i)); \ awk '{if($3==1)print $NF,$2}' outputs/numbers.lst \ | while read -a line; \ do \ N=${line[1]}; \ NEW=${line[0]}; \ D=$(echo $N | awk '{print substr($0,0,1)}'); \ OLD=~/struct/cod/cif/$D/$N.cif; \ cif_filter $NEW \ --renumber \ --start-data $N \ --add-cif-header $OLD \ > $OLD; \ done ) \ done ) 2>&1 \ | tee ~/struct/cod/cif/redeposit-2006-RSC.log |
7150384.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. |
7150384.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/' |
7150384.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7150384.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. |
7150384.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) |
7150384.cif |
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Users of the data should acknowledge the original authors of the
structural data.