Crystallography Open Database

Information card for entry 7225220

Preview

Coordinates	7225220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Cl N3 O2
Calculated formula	C30 H20 Cl N3 O2
SMILES	Clc1ccc(C2Nc3ccccc3c3nc4c(c(c23)/C=C/c2cccc(N(=O)=O)c2)cccc4)cc1
Title of publication	p-TsOH-promoted synthesis of (E)-6-phenyl-7-styryl-5,6-dihydrodibenzo[b,h][1,6]naphthyridines via cascade intramolecular aza-Michael addition/Friedlander condensation of 2'-aminochalcones in a SDS/H2O system
Authors of publication	Ravi, Makthala; Chauhan, Parul; Singh, Shikha; Kant, Ruchir; Yadav, Prem Prakash
Journal of publication	RSC Adv.
Year of publication	2016
a	9.823 ± 0.003 Å
b	10.668 ± 0.002 Å
c	11.585 ± 0.003 Å
α	95.708 ± 0.003°
β	105.487 ± 0.005°
γ	94.881 ± 0.003°
Cell volume	1156.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211179 (current)	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	7225220.cif
182927	2016-05-13	cif/ Adding structures of 7225219, 7225220 via cif-deposit CGI script.	7225220.cif