Crystallography Open Database

Information card for entry 4504968

Preview

Coordinates	4504968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 N3 O7
Calculated formula	C27 H33 N3 O7
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	10.142 ± 0.006 Å
b	14.859 ± 0.009 Å
c	17.662 ± 0.011 Å
α	90°
β	98.01 ± 0.06°
γ	90°
Cell volume	2636 ± 3 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Ambient diffracton pressure	1 kPa
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	0.0493
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for all reflections	0.048
Weighted residual factors for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.1824
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.	4504968.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504968.cif
50084	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504967, 4504968 via cif-deposit CGI script.	4504968.cif