Crystallography Open Database

Information card for entry 4036375

Preview

Coordinates	4036375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H68 Cl2 Fe2 N2 O4
Calculated formula	C62 H66 Fe2 N2 O4
Title of publication	Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.
Authors of publication	Nottingham, Chris; Benson, Robert; 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	10163 - 10176
a	9.4054 ± 0.0001 Å
b	10.8382 ± 0.0002 Å
c	28.0924 ± 0.0004 Å
α	90°
β	97.196 ± 0.001°
γ	90°
Cell volume	2841.12 ± 0.07 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
234620 (current)	2019-11-23	cif/ Adding structures of 4036372, 4036373, 4036374, 4036375, 4036376, 4036377 via cif-deposit CGI script.	4036375.cif