Crystallography Open Database

Information card for entry 4125203

Preview

Coordinates	4125203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O
Calculated formula	C19 H20 O
Title of publication	Redox-Active Esters in Fe-Catalyzed C-C Coupling.
Authors of publication	Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	35
Pages of publication	11132 - 11135
a	18.758 ± 0.003 Å
b	5.7669 ± 0.0008 Å
c	13.563 ± 0.002 Å
α	90°
β	110.826 ± 0.004°
γ	90°
Cell volume	1371.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2146
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
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
187894 (current)	2016-11-06	cif/ Updating files of 4125201, 4125202, 4125203 Original log message: Adding full bibliography for 4125201--4125203.cif.	4125203.cif
186070	2016-08-30	cif/ Adding structures of 4125203 via cif-deposit CGI script.	4125203.cif