Crystallography Open Database

Information card for entry 7250176

Preview

Coordinates	7250176.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ethyl (E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylate
Formula	C31 H23 N3 O3
Calculated formula	C31 H23 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	7.518 ± 0.0015 Å
b	36.519 ± 0.007 Å
c	9.083 ± 0.0018 Å
α	90°
β	97.19 ± 0.03°
γ	90°
Cell volume	2474.1 ± 0.9 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.7 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.	7250176.cif