Crystallography Open Database

Information card for entry 7250178

Preview

Coordinates	7250178.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylic acid
Formula	C29 H19 N3 O3
Calculated formula	C29 H19 N3 O3
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	11.226 ± 0.002 Å
b	13.215 ± 0.003 Å
c	16.773 ± 0.003 Å
α	81.42 ± 0.03°
β	87.99 ± 0.03°
γ	69.34 ± 0.03°
Cell volume	2301.8 ± 0.9 Å³
Cell temperature	221 ± 2 K
Ambient diffraction temperature	221 ± 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	0.1026
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2387
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	7250178.cif