Crystallography Open Database

Information card for entry 1504074

Preview

Coordinates	1504074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 O
Calculated formula	C33 H24 O
SMILES	O=C(/C=C\c1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Gold-catalyzed cascade Friedel-Crafts/furan-alkyne cycloisomerizations for the highly efficient synthesis of arylated (Z)-enones or -enals.
Authors of publication	Chen, Yifeng; Lu, Yuhua; Li, Guijie; Liu, Yuanhong
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	17
Pages of publication	3838 - 3841
a	10.4248 ± 0.0011 Å
b	11.0694 ± 0.0012 Å
c	20.658 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2383.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504074.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504074.cif
39351	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504074 via cif-deposit CGI script.	1504074.cif