Crystallography Open Database

Information card for entry 7160209

Preview

Coordinates	7160209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 Cl N O2
Calculated formula	C17 H10 Cl N O2
Title of publication	Novel electron donor-acceptor (EDA) complex promoted arylation of 2-oxo-2<i>H</i>-chromene-3-carbonitriles under visible light irradiation.
Authors of publication	Sahoo, Tanmoy; Prasanna, Dasari Vijaya; Sridhar, B.; Subba Reddy, B. V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	48
Pages of publication	9408 - 9412
a	10.719 ± 0.002 Å
b	6.7143 ± 0.0018 Å
c	19.67 ± 0.005 Å
α	90°
β	99.99 ± 0.01°
γ	90°
Cell volume	1394.2 ± 0.6 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	0.0837
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
297134 (current)	2025-01-06	cif/ Updating files of 7160209 Original log message: Adding full bibliography for 7160209.cif.	7160209.cif
295816	2024-11-07	cif/ Adding structures of 7160209 via cif-deposit CGI script.	7160209.cif