Crystallography Open Database

Information card for entry 7205004

7205003 << 7205004 >> 7205005

Preview

Coordinates	7205004.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
Formula	C34 H36 O2
Calculated formula	C34 H30 O2
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	16.6711 ± 0.0003 Å
b	10.6712 ± 0.0002 Å
c	24.3875 ± 0.0005 Å
α	90°
β	101.435 ± 0.001°
γ	90°
Cell volume	4252.43 ± 0.14 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	0.1049
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.2214
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	7205004.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"	7205004.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7205004.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205004.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7205004.cif
4040	2010-12-16	../uploads/cif-deposit/cod/cif Adding structures of 7205004 via cif-deposit CGI script.	7205004.cif