Crystallography Open Database

Information card for entry 1553041

Preview

Coordinates	1553041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Au Cl N O2 P
Calculated formula	C38 H42 Au Cl N O2 P
SMILES	[Au]([P]1(Oc2c(c3c4CCCCc4cc(c3O1)C)c1c(CCCC1)cc2C)N([C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)Cl
Title of publication	Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes
Authors of publication	Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	3
Pages of publication	221
a	8.893 ± 0.0002 Å
b	20.6873 ± 0.0004 Å
c	9.7453 ± 0.0002 Å
α	90°
β	105.318 ± 0.001°
γ	90°
Cell volume	1729.17 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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 all reflections	0.0281
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
232992 (current)	2019-11-23	cif/ Adding structures of 1553040, 1553041 via cif-deposit CGI script.	1553041.cif