Crystallography Open Database

Information card for entry 7249485

Preview

Coordinates	7249485.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	methyl 2-(3,10-dimethoxy-5,12-dioxo-5H-quinazolino[3,2-a]quinazolin-6(12H)-yl)acetate
Formula	C20 H17 N3 O6
Calculated formula	C20 H17 N3 O6
Title of publication	Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator
Authors of publication	Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip
Journal of publication	RSC Medicinal Chemistry
Year of publication	2024
a	8.0947 ± 0.001 Å
b	10.0181 ± 0.0013 Å
c	11.8931 ± 0.0015 Å
α	71.761 ± 0.004°
β	77.741 ± 0.004°
γ	86.957 ± 0.004°
Cell volume	895 ± 0.2 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.0611
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295585 (current)	2024-10-23	cif/ Adding structures of 7249484, 7249485, 7249486, 7249487 via cif-deposit CGI script.	7249485.cif