Crystallography Open Database

Information card for entry 1503376

Preview

Coordinates	1503376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Au Cl N O2 P
Calculated formula	C22 H18 Au Cl N O2 P
SMILES	[Au](Cl)[P]1(Oc2ccc3ccccc3c2c2c3ccccc3ccc2O1)N(C)C
Title of publication	Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.
Authors of publication	González, Ana Z; Toste, F. Dean
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	200 - 203
a	7.3489 ± 0.0009 Å
b	15.339 ± 0.002 Å
c	9.154 ± 0.001 Å
α	90°
β	98.337 ± 0.003°
γ	90°
Cell volume	1021 ± 0.2 Å³
Cell temperature	163.2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0354
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503376.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503376.cif
37250	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503376 via cif-deposit CGI script.	1503376.cif