Crystallography Open Database

Information card for entry 7205010

7205009 << 7205010 >> 7205011

Preview

Coordinates	7205010.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Chemical name	trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 4(acetone) clathrate
Formula	C46 H60 O6
Calculated formula	C46 H42 O6
Title of publication	Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
Authors of publication	Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2002
Journal issue	12
Pages of publication	1973
a	8.9057 ± 0.0002 Å
b	26.9049 ± 0.0006 Å
c	9.1615 ± 0.0002 Å
α	90°
β	108.59 ± 0.001°
γ	90°
Cell volume	2080.62 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1679
Weighted residual factors for all reflections included in the refinement	0.2069
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
180381 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/50.	7205010.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7205010.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7205010.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205010.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7205010.cif
4046	2010-12-16	../uploads/cif-deposit/cod/cif Adding structures of 7205010 via cif-deposit CGI script.	7205010.cif