Crystallography Open Database

Information card for entry 7250175

Preview

Coordinates	7250175.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(2-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-5-(diphenylamino)phenoxy)benzonitrile
Formula	C32 H24 N4 O4
Calculated formula	C32 H24 N4 O4
Title of publication	Synthesis of dual state emissive twisted donor-acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism
Authors of publication	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Journal of publication	CrystEngComm
Year of publication	2025
a	7.684 ± 0.0015 Å
b	8.609 ± 0.0017 Å
c	19.253 ± 0.004 Å
α	87.9 ± 0.03°
β	89.11 ± 0.03°
γ	78.07 ± 0.03°
Cell volume	1245.2 ± 0.5 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 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	0.1113
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.31
Weighted residual factors for all reflections included in the refinement	0.3147
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298582 (current)	2025-03-26	cif/ Adding structures of 7250174, 7250175, 7250176, 7250177, 7250178 via cif-deposit CGI script.	7250175.cif