Crystallography Open Database

Information card for entry 1514765

Preview

Coordinates	1514765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200 H256 Si8
Calculated formula	C176 H200 Si8
Title of publication	Bottom-up synthesis and structures of π-lengthened tubular macrocycles
Authors of publication	Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	8
Pages of publication	3179
a	16.179 ± 0.007 Å
b	17.461 ± 0.008 Å
c	32.012 ± 0.015 Å
α	90°
β	95.835 ± 0.006°
γ	90°
Cell volume	8997 ± 7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1715
Residual factor for significantly intense reflections	0.1535
Weighted residual factors for significantly intense reflections	0.4279
Weighted residual factors for all reflections included in the refinement	0.4429
Goodness-of-fit parameter for all reflections included in the refinement	1.929
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514765.cif
110254	2014-04-18	cif/ Adding structures of 1514765 via cif-deposit CGI script.	1514765.cif