Crystallography Open Database

Information card for entry 7233452

Preview

Coordinates	7233452.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane
Chemical name	7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane
Formula	C21 H20 N4
Calculated formula	C21 H20 N4
Title of publication	Hierarchical assembly of a molecular material through the amorphous phase and the evolution of its fluorescence emission
Authors of publication	Ch. G. Chandaluri; T. P. Radhakrishnan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	4464 - 4471
a	9.4123 ± 0.0007 Å
b	12.9289 ± 0.001 Å
c	14.5929 ± 0.0011 Å
α	90°
β	99.292 ± 0.001°
γ	90°
Cell volume	1752.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0443
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217722 (current)	2019-08-26	cif/ Adding structures of 7233452 via cif-deposit CGI script.	7233452.cif