Crystallography Open Database

Information card for entry 1502519

Preview

Coordinates	1502519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H53 Au Cl P
Calculated formula	C33 H53 Au Cl P
SMILES	[Au](Cl)[P](C(C)(C)C)(C(C)(C)C)c1c(c(c(c(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)C)C)C
Title of publication	Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.
Authors of publication	Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	20
Pages of publication	5580 - 5583
a	12.5736 ± 0.0007 Å
b	15.875 ± 0.0008 Å
c	16.524 ± 0.0008 Å
α	90°
β	94.695 ± 0.002°
γ	90°
Cell volume	3287.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1502519.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502519.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502519.cif
35813	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502519 via cif-deposit CGI script.	1502519.cif