Crystallography Open Database

Information card for entry 7206082

7206081 << 7206082 >> 7206083

Preview

Coordinates	7206082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 O2
Calculated formula	C23 H25 O2
Title of publication	Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol
Authors of publication	Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3162
a	29.898 ± 0.002 Å
b	6.0728 ± 0.0003 Å
c	20.9859 ± 0.0012 Å
α	90°
β	110.252 ± 0.003°
γ	90°
Cell volume	3574.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0636
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
180391 (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 7/20/60.	7206082.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206082.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206082.cif
23518	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206079, 7206080, 7206081, 7206082 via cif-deposit CGI script.	7206082.cif