Crystallography Open Database

Information card for entry 1557553

Preview

Coordinates	1557553.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-1,4-bis(4-iodophenyl)cyclohex-2-ene-1,4-diol
Formula	C145 H133 Cl3 I16 O18
Calculated formula	C145 H133 Cl3 I16 O18
Title of publication	Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology
Authors of publication	Pavlović, Dražen; Cohen, Shmuel
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	14
Pages of publication	2550 - 2558
a	10.85 ± 0.002 Å
b	31.002 ± 0.006 Å
c	11.243 ± 0.002 Å
α	90°
β	96.637 ± 0.003°
γ	90°
Cell volume	3756.5 ± 1.2 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
257944 (current)	2020-10-06	cif/ Updating files of 1557553 Original log message: Adding full bibliography for 1557553.cif.	1557553.cif
251739	2020-05-05	cif/ Updating files of 1557553 Original log message: Adding full bibliography for 1557553.cif.	1557553.cif
249188	2020-03-08	cif/ Adding structures of 1557553 via cif-deposit CGI script.	1557553.cif