Crystallography Open Database

Information card for entry 7121035

Preview

Coordinates	7121035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 Cl9 Fe N O3 P Pd
Calculated formula	C35 H31 Cl9 Fe N O3 P Pd
Title of publication	Palladium-catalyzed enantioselective C(sp<sup>2</sup>)-H arylation of ferrocenyl ketones enabled by a chiral transient directing group.
Authors of publication	Xu, Jiancong; Liu, Yang; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	6
Pages of publication	689 - 692
a	11.649 ± 0.002 Å
b	12.431 ± 0.003 Å
c	15.066 ± 0.003 Å
α	98.08 ± 0.03°
β	104.26 ± 0.03°
γ	105.36 ± 0.03°
Cell volume	1988.9 ± 0.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
228249 (current)	2019-11-17	cif/ Updating files of 7121034, 7121035 Original log message: Adding full bibliography for 7121034--7121035.cif.	7121035.cif
204464	2017-12-22	cif/ Adding structures of 7121034, 7121035 via cif-deposit CGI script.	7121035.cif