Crystallography Open Database

Information card for entry 1506192

Preview

Coordinates	1506192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H46
Calculated formula	C55 H46
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	10.5923 ± 0.0003 Å
b	10.641 ± 0.0003 Å
c	10.6696 ± 0.0003 Å
α	102.995 ± 0.001°
β	109.818 ± 0.001°
γ	106.515 ± 0.001°
Cell volume	1013.57 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	1506192.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506192.cif
48077	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506192 via cif-deposit CGI script.	1506192.cif