Crystallography Open Database

Information card for entry 7112909

Preview

Coordinates	7112909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H100 O7
Calculated formula	C86 H100 O7
Title of publication	A photoswitch based on self-assembled single microwire of a phenyleneethynylene macrocycle.
Authors of publication	Luo, Jia; Yan, Qifan; Zhou, Yan; Li, Tian; Zhu, Ningbo; Bai, Chuanjiang; Cao, Yong; Wang, Jian; Pei, Jian; Zhao, Dahui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	31
Pages of publication	5725 - 5727
a	13.4266 ± 0.0006 Å
b	14.776 ± 0.0007 Å
c	20.1053 ± 0.0009 Å
α	84.802 ± 0.001°
β	71.929 ± 0.001°
γ	76.215 ± 0.001°
Cell volume	3682.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
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.	7112909.cif
112157	2014-04-30	cif/ Adding structures of 7112909 via cif-deposit CGI script.	7112909.cif