Crystallography Open Database

Information card for entry 4505789

Preview

Coordinates	4505789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H64 Br16 N8 O2
Calculated formula	C96 H64 Br16 N8 O2
Title of publication	Staircase Inclusion Compounds Formed by Tetrahalodiquinoline Hosts
Authors of publication	Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Marjo, Christopher E.; Scudder, Marcia L.
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	5
Pages of publication	421
a	14.044 ± 0.006 Å
b	14.997 ± 0.007 Å
c	22.395 ± 0.009 Å
α	77.35 ± 0.03°
β	84.2 ± 0.03°
γ	81.51 ± 0.03°
Cell volume	4540 ± 3 Å³
Cell temperature	294 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.81
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
179593 (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 4/50/57.	4505789.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505789.cif
53921	2012-04-20	cif/ Adding structures of 4505787, 4505788, 4505789, 4505790 via cif-deposit CGI script.	4505789.cif