Crystallography Open Database

Information card for entry 4503836

Preview

Coordinates	4503836.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	0.5:1 complex of pluoroglucinol and phenazine
Chemical name	0.5:1 complex of pluoroglucinol and phenazine
Formula	C15 H11 N2 O1.5
Calculated formula	C15 H11 N2 O1.5
Title of publication	The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals
Authors of publication	Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	12
Pages of publication	4546
a	14.159 ± 0.003 Å
b	11.943 ± 0.003 Å
c	14.249 ± 0.003 Å
α	90°
β	102.423 ± 0.005°
γ	90°
Cell volume	2353.1 ± 0.9 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	0.1236
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179573 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/38.	4503836.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503836.cif
41806	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503836 via cif-deposit CGI script.	4503836.cif