Crystallography Open Database

Information card for entry 1101098

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Coordinates	1101098.cif
Original paper (by DOI)	HTML
External links	ChemSpider

Structure parameters

Common name	3',5'-di-O-acetyl-N(4)-hydroxy-2'-deoxycytidine
Formula	C65 H85 N15 O35
Calculated formula	C65 H85 N15 O35
SMILES	N1C(C=CN(C1=O)[C@@H]1O[C@@H]([C@@H](OC(=O)C)C1)COC(=O)C)=NO
Authors of publication	Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech
Journal of publication	Struct. Chem.
Year of publication	2005
Pages of publication	541 - 549
a	39.54 ± 0.05 Å
b	8.72 ± 0.01 Å
c	22.89 ± 0.03 Å
α	90°
β	95.26 ± 0.1°
γ	90°
Cell volume	7859 ± 17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	101.3 kPa
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	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.	1101098.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.	1101098.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1101098.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1101098.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.	1101098.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	1101098.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/'	1101098.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1101098.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.	1101098.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)	1101098.cif