Crystallography Open Database

Information card for entry 7250174

Preview

Coordinates	7250174.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(5-(diphenylamino)-2-formylphenoxy)benzonitrile
Formula	C26 H18 N2 O2
Calculated formula	C26 H18 N2 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	10.078 ± 0.002 Å
b	9.888 ± 0.002 Å
c	20.434 ± 0.004 Å
α	90°
β	101.85 ± 0.03°
γ	90°
Cell volume	1992.9 ± 0.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7250174.cif