Crystallography Open Database

Information card for entry 4500069

Preview

Coordinates	4500069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 N4 O4
Calculated formula	C29 H32 N4 O4
SMILES	C(COc1ccc(cc1)N)(COc1ccc(cc1)N)(COc1ccc(cc1)N)COc1ccc(cc1)N
Title of publication	Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines
Authors of publication	Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2005
Journal volume	5
Pages of publication	1451 - 1456
a	12.7089 ± 0.0001 Å
b	12.7089 ± 0.0001 Å
c	8.2149 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1326.84 ± 0.02 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179531 (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 4/50/00.	4500069.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500069.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500069.cif
26817	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 4500068, 4500069, 4500070, 4500071, 4500072 via cif-deposit CGI script.	4500069.cif