Crystallography Open Database

Information card for entry 7239014

Preview

Coordinates	7239014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 Cl0 O2 S
Calculated formula	C11.4286 H6.28571 Cl0.571429 O1.71429 S1.14286
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	9.1727 ± 0.0012 Å
b	12.4922 ± 0.0014 Å
c	15.7956 ± 0.0017 Å
α	90°
β	104.861 ± 0.012°
γ	90°
Cell volume	1749.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7239014.cif