Crystallography Open Database

Information card for entry 4024232

Preview

Coordinates	4024232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 F2 O4
Calculated formula	C18 H16 F2 O4
SMILES	Fc1ccc([C@@]23OO[C@@]([C@H](O)[C@@H]2O)(CC3)c2ccc(F)cc2)cc1
Title of publication	Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols
Authors of publication	Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	274 - 282
a	26.372 ± 0.005 Å
b	5.6563 ± 0.0011 Å
c	20.652 ± 0.004 Å
α	90°
β	108.83 ± 0.03°
γ	90°
Cell volume	2915.7 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4024232.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024232.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024232.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.	4024232.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024232.cif