Crystallography Open Database

Information card for entry 2100852

Preview

Coordinates	2100852.cif
Original IUCr paper	HTML

Structure parameters

Formula	C78 H98 N30 O49 P7
Title of publication	Crystal and molecular structure of d(GTCTAGAC)
Authors of publication	Cervi, A. R.; Langlois d'Estaintot, B.; Hunter, W. N.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	5
Pages of publication	714 - 719
a	42.56 ± 0.11 Å
b	42.56 ± 0.11 Å
c	24.61 ± 0.11 Å
α	90°
β	90°
γ	90°
Cell volume	44577 Å³
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 41n 2abw
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249440 (current)	2020-03-17	cif/2/10/08/ Switching from COD_ERROR to COD_ENTRY_ISSUE CIF data items to describe the issue of 2100852.	2100852.cif
191106	2017-01-30	cif/2/10/08/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item in entry 2100852.	2100852.cif
176343	2016-02-11	cif/ (antanas@kurmis) Replacing _[local]_cod_depositor_comments tag with _cod_depositor_comments in multiple entries since this tag is widely used in the COD and formally defined in the COD CIF dictionary. All other _[local]_cod_* tags in the affected entries were also replaced with the appropriate tags without the '_[local]' prefix (except for the _[local]_cod_citation_special_details tag that was not affected since it does not yet have a formal definition in the COD CIF dictionary).	2100852.cif
174395	2016-01-12	cif/2/10/08/ Taking cell parameters from original publication, renaming tags _atom_site_fract_[xyz] -> _atom_site_Cartn_[xyz] in an attempt to restore original ("correct") cell constants. Describing the matrix to convert Cartesian coordinates into fractional in _atom_sites_fract_tran_* tags. Restoring original cell volume, which agrees with cell parameters. The original unit cell is restored, but coordinates should be used with caution.	2100852.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2100852.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2100852.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2100852.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2100852.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2100852.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.	2100852.cif
659	2009-04-19	Correcting typos in the 2100852.cif file comment.	2100852.cif
658	2009-04-19	Adding depositor comments on the 2100852.cif entry.	2100852.cif
657	2009-04-19	Marking the 2/2100852.cif entry with error flag 'errors', due to incorrect unit cell.	2100852.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2100852.cif
326	2008-04-03	Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site.	2100852.cif