Crystallography Open Database

Information card for entry 7060690

Preview

Coordinates	7060690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 Br N3 O2
Calculated formula	C29 H18 Br N3 O2
SMILES	Brc1ccc(cc1)/C=C/c1c2C(=O)C(=O)c3ccccc3c2nc2c1c(C)nn2c1ccccc1
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	10.6575 ± 0.0007 Å
b	10.8837 ± 0.0007 Å
c	11.685 ± 0.0008 Å
α	110.376 ± 0.002°
β	102.926 ± 0.002°
γ	108.235 ± 0.002°
Cell volume	1119.38 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.15
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7060690.cif
265492	2021-05-26	cif/ Adding structures of 7060689, 7060690 via cif-deposit CGI script.	7060690.cif