Crystallography Open Database

Information card for entry 1544181

Preview

Coordinates	1544181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 Fe N2 O8
Calculated formula	C26 H33 Fe N2 O8
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)OCCNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1NC(=O)OC(C)(C)C
Title of publication	Synthesis of ferrocene amides and esters from aminoferrocene and 2-substituted ferrocenecarboxylic acid and properties thereof
Authors of publication	Srinivas, Palabindela; Prabhakar, Sunchu; Chevallier, Floris; Nassar, Ekhlass; Erb, William; Dorcet, Vincent; Jouikov, Viatcheslav; Radha Krishna, Palakodety; Mongin, Florence
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9441
a	9.2335 ± 0.0005 Å
b	11.214 ± 0.0005 Å
c	25.4777 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2638.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1327
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.2636
Weighted residual factors for all reflections included in the refinement	0.2942
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
188265 (current)	2016-11-08	cif/ Updating files of 1544181 Original log message: Adding full bibliography for 1544181.cif.	1544181.cif
186706	2016-09-22	cif/ Adding structures of 1544181 via cif-deposit CGI script.	1544181.cif