Crystallography Open Database

Information card for entry 4118069

Preview

Coordinates	4118069.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TPB-2
Formula	C26 H22 N4 O2
Calculated formula	C26 H18 N4 O2
Title of publication	From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate
Authors of publication	Yu-Chuan Chang; Sue-Lein Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9848 - 9851
a	16.31 ± 0.0002 Å
b	13.6832 ± 0.0002 Å
c	9.7527 ± 0.0002 Å
α	90°
β	97.147 ± 0.001°
γ	90°
Cell volume	2159.63 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178951 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80.	4118069.cif
75214	2013-03-08	cif/ Adding structures of 4118069 via cif-deposit CGI script.	4118069.cif