Crystallography Open Database

Information card for entry 1100915

1100914 << 1100915 >> 1100916

Preview

Coordinates	1100915.cif

Structure parameters

Formula	C15 H22 O3
Calculated formula	C15 H22 O3
SMILES	O=C1[C@@H]2[C@](OC(=O)C)([C@H]3[C@H]1CCCC3)CCCC2.O=C1[C@H]2[C@@](OC(=O)C)([C@@H]3[C@@H]1CCCC3)CCCC2
Authors of publication	Mario Nardelli
a	11.891 ± 0.006 Å
b	11.954 ± 0.005 Å
c	9.387 ± 0.006 Å
α	90 ± 0°
β	90 ± 0°
γ	90 ± 0°
Cell volume	1334 ± 1 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 21 c n
Diffraction radiation wavelength	0.71069 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1100915.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100915.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.	1100915.cif
259	2008-03-10	10 files corrected. 2 of them 1100680.cif and 1100930.cif contained more than one structure. Only the first one is kept, the other have been placed at my home directory. There are also files with duplicated bibliography. Email Salius about the best way to proceed with them.	1100915.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/'	1100915.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100915.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.	1100915.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)	1100915.cif