Crystallography Open Database

Information card for entry 7111718

Preview

Coordinates	7111718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 Cl4 N2 O10
Calculated formula	C54 H40 Cl4 N2 O10
Title of publication	Supramolecular organization of extended benzobisoxazole cruciforms
Authors of publication	Osowska, Karolina; Miljanić, Ognjen Š.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4276 - 4278
a	8.9868 ± 0.0015 Å
b	9.9983 ± 0.0017 Å
c	14.506 ± 0.003 Å
α	99.874 ± 0.003°
β	93.339 ± 0.003°
γ	107.32 ± 0.003°
Cell volume	1217.6 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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 all reflections	0.109
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (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 7/11/17.	7111718.cif
96748	2014-01-29	cif/ Adding structures of 7111717, 7111718 via cif-deposit CGI script.	7111718.cif