Crystallography Open Database

Information card for entry 7238690

Preview

Coordinates	7238690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 Fe N O
Calculated formula	C17 H13 Fe N O
Title of publication	Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters
Authors of publication	Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	18
Pages of publication	7030
a	27.0951 ± 0.0007 Å
b	27.0951 Å
c	10.349 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6579.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
244294 (current)	2019-11-28	cif/ Adding structures of 7238689, 7238690 via cif-deposit CGI script.	7238690.cif