Crystallography Open Database

Information card for entry 1554053

Preview

Coordinates	1554053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N O2
Calculated formula	C20 H17 N O2
SMILES	O=Cc1ccc(N(c2ccc(OC)cc2)c2ccccc2)cc1
Title of publication	Self-Reversible Mechanochromism and Thermochromism of a Triphenylamine-Based Molecule: Tunable Fluorescence and Nanofabrication Studies
Authors of publication	Hariharan, P. S.; Venkataramanan, N. S.; Moon, Dohyun; Anthony, Savarimuthu Philip
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2015
Journal volume	119
Journal issue	17
Pages of publication	9460
a	10.194 ± 0.002 Å
b	11.472 ± 0.002 Å
c	13.683 ± 0.003 Å
α	90°
β	97.76 ± 0.03°
γ	90°
Cell volume	1585.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0449
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.62998 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236504 (current)	2019-11-24	cif/ Adding structures of 1554053 via cif-deposit CGI script.	1554053.cif