Crystallography Open Database

Information card for entry 7250177

Preview

Coordinates	7250177.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylamide
Formula	C29 H20 N4 O2
Calculated formula	C29 H20 N4 O2
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	8.658 ± 0.0017 Å
b	10.746 ± 0.002 Å
c	13.271 ± 0.003 Å
α	76.39 ± 0.03°
β	74.05 ± 0.03°
γ	83.35 ± 0.03°
Cell volume	1152.1 ± 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	0.0546
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7250177.cif