Crystallography Open Database

Information card for entry 7063095

Preview

Coordinates	7063095.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DSIA
Formula	C23 H15 N3 O
Calculated formula	C23 H15 N3 O
SMILES	O=c1[nH]c2c(cc1c1nc(c3c(n1)cccc3)c1ccccc1)cccc2
Title of publication	Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism
Authors of publication	Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	15
Pages of publication	6943 - 6953
a	8.44882 ± 0.00013 Å
b	8.76255 ± 0.00016 Å
c	13.5212 ± 0.0003 Å
α	92.2891 ± 0.0015°
β	107.07 ± 0.0015°
γ	113.235 ± 0.0016°
Cell volume	865.37 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0444
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.0862
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
291680 (current)	2024-05-05	cif/ Updating files of 7063095, 7063096, 7063097 Original log message: Adding full bibliography for 7063095--7063097.cif.	7063095.cif
290533	2024-03-19	cif/ Adding structures of 7063095, 7063096, 7063097 via cif-deposit CGI script.	7063095.cif