Crystallography Open Database

Information card for entry 4504967

Preview

Coordinates	4504967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 N3 O6
Calculated formula	C30 H42 N3 O6
Title of publication	Noncovalent Derivatives of Hydroquinone: Complexes with Trigonal Planar Tris(N,N-dialkyl)trimesamides
Authors of publication	Cannon, Amy S.; Foxman, Bruce M.; Guarrera, Donna J.; Warner, John C.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	2
Pages of publication	407
a	14.617 ± 0.006 Å
b	12.448 ± 0.005 Å
c	16.846 ± 0.007 Å
α	90°
β	95.14 ± 0.04°
γ	90°
Cell volume	3053 ± 2 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for all reflections	0.0749
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.1158
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
179584 (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 4/50/49.	4504967.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504967.cif
50084	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504967, 4504968 via cif-deposit CGI script.	4504967.cif