Crystallography Open Database

Information card for entry 7111717

Preview

Coordinates	7111717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H30 Cl4 N4 O6
Calculated formula	C45.7 H27.8 Cl1.8 N4 O6
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	3.8598 ± 0.0005 Å
b	14.4562 ± 0.0017 Å
c	18.4857 ± 0.0022 Å
α	105.228 ± 0.002°
β	94.344 ± 0.002°
γ	93.861 ± 0.002°
Cell volume	988.3 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0811
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7111717.cif
96748	2014-01-29	cif/ Adding structures of 7111717, 7111718 via cif-deposit CGI script.	7111717.cif