Crystallography Open Database

Information card for entry 7060689

Preview

Coordinates	7060689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 F N3 O2
Calculated formula	C29 H18 F N3 O2
SMILES	c1cc(ccc1/C=C/c1c2C(=O)C(=O)c3ccccc3c2nc2c1c(nn2c1ccccc1)C)F
Title of publication	Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding
Authors of publication	Yadav, Rahul; Parvin, Tasneem
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	23
Pages of publication	10388 - 10395
a	9.177 ± 0.004 Å
b	12.753 ± 0.005 Å
c	11.653 ± 0.004 Å
α	90°
β	123.03 ± 0.02°
γ	90°
Cell volume	1143.4 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.2444
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
267225 (current)	2021-07-05	cif/ Updating files of 7060689, 7060690 Original log message: Adding full bibliography for 7060689--7060690.cif.	7060689.cif
265492	2021-05-26	cif/ Adding structures of 7060689, 7060690 via cif-deposit CGI script.	7060689.cif