Crystallography Open Database

Information card for entry 7229313

Preview

Coordinates	7229313.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-(diphenylamino)-2-ethoxybenzaldehyde
Formula	C21 H19 N O2
Calculated formula	C21 H19 N O2
SMILES	O=Cc1c(OCC)cc(N(c2ccccc2)c2ccccc2)cc1
Title of publication	Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid
Authors of publication	Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip
Journal of publication	CrystEngComm
Year of publication	2017
a	7.737 ± 0.0015 Å
b	15.936 ± 0.003 Å
c	14.484 ± 0.003 Å
α	90°
β	103.11 ± 0.03°
γ	90°
Cell volume	1739.3 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
201903 (current)	2017-10-11	cif/ Adding structures of 7229307, 7229308, 7229309, 7229310, 7229311, 7229312, 7229313 via cif-deposit CGI script.	7229313.cif