Crystallography Open Database

Information card for entry 7112793

Preview

Coordinates	7112793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 Cl3 N3 O4.5
Calculated formula	C33 H30 Cl3 N3 O4.5
Title of publication	Assembling triple helical amide-to-amide hydrogen bonded columns of tris(4-halophenyl)benzene-1,3,5-tricarboxamides into porous materials via halogen...halogen interactions.
Authors of publication	Rajput, Lalit; Chernyshev, Vladimir V.; Biradha, Kumar
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6530 - 6532
a	21.625 ± 0.0017 Å
b	21.625 ± 0.0017 Å
c	7.3012 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2956.9 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor R(I) for significantly intense reflections	0.0704
Goodness-of-fit parameter for all reflections	2.123
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54059 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112793.cif
112091	2014-04-29	cif/ Adding structures of 7112791, 7112792, 7112793, 7112794 via cif-deposit CGI script.	7112793.cif