Crystallography Open Database

Information card for entry 7112905

Preview

Coordinates	7112905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 N8 O6
Calculated formula	C58 H60 N8 O6
Title of publication	Construction of an interpenetrated structure of macrocycles.
Authors of publication	Zhao, Yingjie; Li, Yuliang; Li, Yongjun; Zheng, Haiyan; Yin, Xiaodong; Liu, Huibiao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	31
Pages of publication	5698 - 5700
a	17.1803 ± 0.0017 Å
b	20.312 ± 0.003 Å
c	20.454 ± 0.003 Å
α	81.924 ± 0.014°
β	67.091 ± 0.012°
γ	68.606 ± 0.011°
Cell volume	6121.7 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2622
Weighted residual factors for all reflections included in the refinement	0.2847
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180243 (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 7/11/29.	7112905.cif
112153	2014-04-30	cif/ Adding structures of 7112905 via cif-deposit CGI script.	7112905.cif