Crystallography Open Database

Information card for entry 7123800

Preview

Coordinates	7123800.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole
Chemical name	2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole
Formula	C22 H16 N2
Calculated formula	C22 H16 N2
Title of publication	Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism
Authors of publication	Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim
Journal of publication	Chemical Communications
Year of publication	2019
a	14.3222 ± 0.0006 Å
b	14.3222 ± 0.0006 Å
c	15.7591 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3232.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216903 (current)	2019-07-10	cif/ Adding structures of 7123795, 7123796, 7123797, 7123798, 7123799, 7123800 via cif-deposit CGI script.	7123800.cif