Crystallography Open Database

Information card for entry 4026316

Preview

Coordinates	4026316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O6
Calculated formula	C20 H24 O6
SMILES	COC(=O)[C@]12C(=O)O[C@@H]3CCCC[C@H]1[C@@H]3c1c(C2)cc(cc1OC)OC.COC(=O)[C@@]12C(=O)O[C@H]3CCCC[C@@H]1[C@H]3c1c(C2)cc(cc1OC)OC
Title of publication	Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes
Authors of publication	Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	4027 - 4033
a	8.5409 ± 0.0005 Å
b	9.9028 ± 0.0007 Å
c	12.1158 ± 0.0009 Å
α	65.82 ± 0.005°
β	89.73 ± 0.004°
γ	73.515 ± 0.003°
Cell volume	889.09 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1474
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178442 (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 4/02/63.	4026316.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026316.cif
38668	2012-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4026316 via cif-deposit CGI script.	4026316.cif