Crystallography Open Database

Information card for entry 1506190

Preview

Coordinates	1506190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H70 Cl8
Calculated formula	C94 H70 Cl8
Title of publication	Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.
Authors of publication	Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	22
Pages of publication	5029 - 5032
a	10.4953 ± 0.0002 Å
b	12.5604 ± 0.0002 Å
c	18.7166 ± 0.0003 Å
α	93.594 ± 0.001°
β	102.2 ± 0.001°
γ	106.121 ± 0.001°
Cell volume	2297.33 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1719
Residual factor for significantly intense reflections	0.139
Weighted residual factors for significantly intense reflections	0.3195
Weighted residual factors for all reflections included in the refinement	0.3486
Goodness-of-fit parameter for all reflections included in the refinement	2.083
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.	1506190.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506190.cif
48075	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506190 via cif-deposit CGI script.	1506190.cif