Crystallography Open Database

Information card for entry 7103731

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Coordinates	7103731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H25 I O5
Calculated formula	C15 H25 I O5
SMILES	I[C@@H]1[C@]2(O[C@](O)(C[C@@H](O)CC2)[C@@H](C1)C(=O)OC(C)(C)C)C.I[C@H]1[C@@]2(O[C@@](O)(C[C@H](O)CC2)[C@H](C1)C(=O)OC(C)(C)C)C
Authors of publication	P.Clarke; M.Ebden; M.Grist; C.Wilson
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2003
a	6.5249 ± 0.0005 Å
b	11.3828 ± 0.0009 Å
c	13.3018 ± 0.001 Å
α	65.415 ± 0.001°
β	77.402 ± 0.001°
γ	81.897 ± 0.001°
Cell volume	875.35 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180140 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37.	7103731.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7103731.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7103731.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7103731.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7103731.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.	7103731.cif
823	2009-09-25	cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications.	7103731.cif