Crystallography Open Database

Information card for entry 4026855

Preview

Coordinates	4026855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 O
Calculated formula	C16 H16 O
Title of publication	Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes
Authors of publication	Prasad Ganji; Hasim Ibrahim
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	511 - 518
a	5.7182 ± 0.0005 Å
b	5.9604 ± 0.0006 Å
c	8.6336 ± 0.0007 Å
α	96.773 ± 0.007°
β	92.481 ± 0.007°
γ	99.717 ± 0.008°
Cell volume	287.41 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178447 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68.	4026855.cif
80909	2013-04-11	cif/ Adding structures of 4026855 via cif-deposit CGI script.	4026855.cif