Crystallography Open Database

Information card for entry 4035550

Preview

Coordinates	4035550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Fe N2 O2 Te
Calculated formula	C27 H22 Fe N2 O2 Te
SMILES	[Te](c1ccc(OC)cc1)[c]12[cH]3[Fe]4567891([cH]1[cH]6[cH]7[cH]8[cH]91)[cH]3[cH]4[c]25C(=O)Nc1c2ncccc2ccc1
Title of publication	Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.
Authors of publication	Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	15
Pages of publication	8241 - 8249
a	9.9037 ± 0.0002 Å
b	10.3559 ± 0.0002 Å
c	12.202 ± 0.0003 Å
α	76.739 ± 0.001°
β	74.565 ± 0.001°
γ	70.695 ± 0.001°
Cell volume	1124.66 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
226998 (current)	2019-11-11	cif/ Adding structures of 4035550 via cif-deposit CGI script.	4035550.cif