Crystallography Open Database

Information card for entry 8100778

Preview

Coordinates	8100778.cif

Structure parameters

Formula	C17 H26 N2 O5
Calculated formula	C17 H26 N2 O5
SMILES	N1(C(=O)NC(=O)C(=C1)C)[C@@H]1[C@@H]2O[C@H](OC)[C@H]1CCCCCC[C@@H]2O.N1(C(=O)NC(=O)C(=C1)C)[C@H]1[C@H]2O[C@@H](OC)[C@@H]1CCCCCC[C@H]2O
Title of publication	Crystal structure of (2'R,3'R,4'R,5'R,6'R*)-1-(6'-hydroxy-5'-methoxy- 2',3',4',5'-tetrahydro-2',4'-heptanofuran-3'-yl)-5-methyl-(1H,3H)- pyrimidine-2,4-dione, [C~4~H~4~O(OCH~3~)(C~5~H~5~N~2~O~2~)](C~7~H~13~OH)
Authors of publication	Peters, Karl; Taugerbeck, Andreas; Tochtermann, Werner
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2002
Journal volume	217
Journal issue	4
Pages of publication	577 - 578
a	10.481 ± 0.001 Å
b	17.158 ± 0.001 Å
c	10.525 ± 0.001 Å
α	90°
β	106.11 ± 0.01°
γ	90°
Cell volume	1818.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	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 8.	8100778.cif
103378	2014-03-04	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100778.cif
100680	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes.	8100778.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100778.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.	8100778.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.	8100778.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/'	8100778.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100778.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.	8100778.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)	8100778.cif