Crystallography Open Database

Information card for entry 7239016

Preview

Coordinates	7239016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N O3 S
Calculated formula	C18 H17 N O3 S
Title of publication	DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes
Authors of publication	Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	33
Pages of publication	13811
a	6.1217 ± 0.0014 Å
b	11.429 ± 0.003 Å
c	11.589 ± 0.003 Å
α	85.145 ± 0.019°
β	83.541 ± 0.019°
γ	80.709 ± 0.019°
Cell volume	793.3 ± 0.3 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	0.1626
Residual factor for significantly intense reflections	0.1058
Weighted residual factors for significantly intense reflections	0.2586
Weighted residual factors for all reflections included in the refinement	0.3071
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
244507 (current)	2019-11-28	cif/ Adding structures of 7239014, 7239015, 7239016 via cif-deposit CGI script.	7239016.cif