Crystallography Open Database

Information card for entry 7229307

Preview

Coordinates	7229307.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-(diphenylamino)-2-propoxybenzaldehyde
Formula	C22 H21 N O2
Calculated formula	C22 H21 N O2
SMILES	O=Cc1c(OCCC)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	10.106 ± 0.002 Å
b	14.511 ± 0.003 Å
c	12.224 ± 0.002 Å
α	90°
β	99.64 ± 0.03°
γ	90°
Cell volume	1767.3 ± 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	0.0617
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.61 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.	7229307.cif