Crystallography Open Database

Information card for entry 4132109

Preview

Coordinates	4132109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H43 Cl2 Fe N3 O2
Calculated formula	C46 H43 Cl2 Fe N3 O2
SMILES	[Fe]12(Cl)(Cl)[N](c3c(cc(OC)cc3C(c3ccccc3)c3ccccc3)C(c3ccccc3)c3ccccc3)=C(c3[n]1c(ccc3)C1OC[C@@H]([N]2=1)C(C)C)C
Title of publication	Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.
Authors of publication	Cheng, Biao; Liu, Wenbo; Lu, Zhan
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	15
Pages of publication	5014 - 5017
a	10.363 ± 0.0004 Å
b	19.5669 ± 0.0007 Å
c	20.1438 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4084.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
242152 (current)	2019-11-26	cif/ Adding structures of 4132109 via cif-deposit CGI script.	4132109.cif