Crystallography Open Database

Information card for entry 7220200

7220199 << 7220200 >> 7220201

Preview

Coordinates	7220200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 F3 N4 O
Calculated formula	C23 H14 F3 N4 O
Title of publication	Metal free direct formation of various substituted pyrido[2′,1′:2,3]imidazo[4,5-c]isoquinolin-5-amines and their further functionalization
Authors of publication	Tber, Z.; Hiebel, M.-A.; Allouchi, H.; El Hakmaoui, A.; Akssira, M.; Guillaumet, G.; Berteina-Raboin, S.
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	44
Pages of publication	35201
a	43.065 ± 0.003 Å
b	5.4072 ± 0.0011 Å
c	17.347 ± 0.008 Å
α	90°
β	91.73 ± 0.02°
γ	90°
Cell volume	4038 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3147
Residual factor for significantly intense reflections	0.1407
Weighted residual factors for significantly intense reflections	0.3764
Weighted residual factors for all reflections included in the refinement	0.4492
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220200.cif
135759	2015-05-08	cif/ Adding structures of 7220199, 7220200 via cif-deposit CGI script.	7220200.cif