Crystallography Open Database

Information card for entry 7220199

7220198 << 7220199 >> 7220200

Preview

Coordinates	7220199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N5 O2
Calculated formula	C15 H11 N5 O2
SMILES	n1c2n(cc(cc2)C#N)c2nc(N)c3c(c12)cccc3.O.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	6.852 ± 0.001 Å
b	9.607 ± 0.005 Å
c	10.857 ± 0.007 Å
α	102.68 ± 0.04°
β	93.21 ± 0.03°
γ	92.5 ± 0.03°
Cell volume	695 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2353
Residual factor for significantly intense reflections	0.1313
Weighted residual factors for significantly intense reflections	0.3112
Weighted residual factors for all reflections included in the refinement	0.3824
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
135759 (current)	2015-05-08	cif/ Adding structures of 7220199, 7220200 via cif-deposit CGI script.	7220199.cif