Crystallography Open Database

Information card for entry 7206081

7206080 << 7206081 >> 7206082

Preview

Coordinates	7206081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 O2
Calculated formula	C28 H32 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	21.82 ± 0.06 Å
b	6.006 ± 0.018 Å
c	34.11 ± 0.1 Å
α	90°
β	95.12 ± 0.18°
γ	90°
Cell volume	4452 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.3075
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.2571
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7206081.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206081.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206081.cif
23518	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206079, 7206080, 7206081, 7206082 via cif-deposit CGI script.	7206081.cif