Crystallography Open Database

Information card for entry 7151829

Preview

Coordinates	7151829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 O2
Calculated formula	C15 H18 O2
SMILES	O=C1C[C@H]2CCC[C@H]3[C@@H]4[C@@H](CC1=C23)C(=O)CC4.O=C1C[C@@H]2CCC[C@@H]3[C@H]4[C@H](CC1=C23)C(=O)CC4
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	8.3858 ± 0.0002 Å
b	8.9432 ± 0.0004 Å
c	16.6524 ± 0.0014 Å
α	82.616 ± 0.011°
β	76.245 ± 0.009°
γ	83.941 ± 0.014°
Cell volume	1199.33 ± 0.13 Å³
Cell temperature	120.1 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	0.0442
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.7107 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.	7151829.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151829.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151829.cif
21283	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151827, 7151828, 7151829 via cif-deposit CGI script.	7151829.cif