Crystallography Open Database

Information card for entry 4036382

Preview

Coordinates	4036382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Cl4 N3 O2 Zn
Calculated formula	C28 H37 Cl4 N3 O2 Zn
Title of publication	Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.
Authors of publication	O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	20
Pages of publication	10177 - 10186
a	9.9185 ± 0.0008 Å
b	10.6832 ± 0.0009 Å
c	14.5573 ± 0.0012 Å
α	90°
β	94.336 ± 0.001°
γ	90°
Cell volume	1538.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
234622 (current)	2019-11-23	cif/ Adding structures of 4036378, 4036379, 4036380, 4036381, 4036382, 4036383 via cif-deposit CGI script.	4036382.cif