Crystallography Open Database

Information card for entry 4025246

Preview

Coordinates	4025246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H50 Cl2 O6
Calculated formula	C57 H52 Cl2 O6
Title of publication	Gold(III)-Catalyzed Tandem Reaction of Ketones with Phenols: Efficient and Highly Selective Synthesis of Functionalized 4H-Chromenes
Authors of publication	Yunkui Liu; Jianqiang Qian; Shaojie Lou; Jie Zhu; Zhenyuan Xu
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	1309 - 1312
a	25.8992 ± 0.0011 Å
b	10.2927 ± 0.0005 Å
c	18.4191 ± 0.0009 Å
α	90°
β	115.095 ± 0.002°
γ	90°
Cell volume	4446.6 ± 0.4 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178431 (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 4/02/52.	4025246.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025246.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025246.cif
11019	2011-02-14	../uploads/cif-deposit/cod/cif Adding structures of 4025246 via cif-deposit CGI script.	4025246.cif