Crystallography Open Database

Information card for entry 4514407

Preview

Coordinates	4514407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 Cr N O5 P
Calculated formula	C37 H36 Cr N O5 P
Title of publication	Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines
Authors of publication	Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	6
Pages of publication	5268
a	7.15 ± 0.0003 Å
b	19.5691 ± 0.0007 Å
c	24.0399 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3363.6 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0689
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223175 (current)	2019-11-04	cif/ Updating files of 4514406, 4514407, 4514408 Original log message: Adding full bibliography for 4514406--4514408.cif.	4514407.cif
215058	2019-05-13	cif/ Adding structures of 4514407 via cif-deposit CGI script.	4514407.cif