Crystallography Open Database

Information card for entry 7151828

Preview

Coordinates	7151828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 O2
Calculated formula	C14 H16 O2
SMILES	O=C1C[C@@H]2[C@@]34C(=CC[C@H]4C(=O)CC[C@H]13)CC2.O=C1C[C@H]2[C@]34C(=CC[C@@H]4C(=O)CC[C@@H]13)CC2
Title of publication	Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Authors of publication	Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	9
Pages of publication	3447 - 3456
a	8.5532 ± 0.0017 Å
b	18.428 ± 0.005 Å
c	8.108 ± 0.0017 Å
α	93.05 ± 0.02°
β	118.249 ± 0.014°
γ	94.88 ± 0.02°
Cell volume	1115.3 ± 0.5 Å³
Cell temperature	296.1 K
Ambient diffraction temperature	296.1 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 significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7151828.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151828.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151828.cif
21283	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151827, 7151828, 7151829 via cif-deposit CGI script.	7151828.cif