Crystallography Open Database

Information card for entry 4135356

Preview

Coordinates	4135356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl2 Fe N2
Calculated formula	C20 H24 Cl2 Fe N2
Title of publication	Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.
Authors of publication	Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	47
Pages of publication	19819 - 19824
a	10.40448 ± 0.00016 Å
b	10.40448 ± 0.00016 Å
c	9.2611 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1002.54 ± 0.03 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	77
Hermann-Mauguin space group symbol	P 42
Hall space group symbol	P 4c
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
259517 (current)	2020-12-04	cif/ Updating files of 4135355, 4135356, 4135357, 4135358 Original log message: Adding full bibliography for 4135355--4135358.cif.	4135356.cif
259119	2020-11-13	cif/ Adding structures of 4135356 via cif-deposit CGI script.	4135356.cif