Crystallography Open Database

Information card for entry 7160518

Preview

Coordinates	7160518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Cl N O3
Calculated formula	C18 H14 Cl N O3
Title of publication	A formal [4 + 1] annulation incorporating styrylogous aldol condensation to access functionalized 2-styryl-benzofurans.
Authors of publication	Reddy, Manyam Subbi; Kamala, Kandivalasa; Suresh, Surisetti
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	21
Pages of publication	5096 - 5100
a	7.3216 ± 0.001 Å
b	17.174 ± 0.002 Å
c	12.5583 ± 0.0016 Å
α	90°
β	100.459 ± 0.004°
γ	90°
Cell volume	1552.9 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0869
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
301179 (current)	2025-07-06	cif/ Updating files of 7160518 Original log message: Adding full bibliography for 7160518.cif.	7160518.cif
299420	2025-04-26	cif/ Adding structures of 7160518 via cif-deposit CGI script.	7160518.cif