Crystallography Open Database

Information card for entry 4028060

Preview

Coordinates	4028060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C254.5 H293 Cl5 O0 Si12
Calculated formula	C254.5 H288 Cl5 Si12
Title of publication	Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors
Authors of publication	Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2266 - 2274
a	15.6315 ± 0.0037 Å
b	15.9006 ± 0.0037 Å
c	26.612 ± 0.0063 Å
α	91.09 ± 0.015°
β	105.275 ± 0.015°
γ	111.548 ± 0.014°
Cell volume	5885 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2036
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2446
Weighted residual factors for all reflections included in the refinement	0.3041
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4028060.cif
94111	2014-01-21	cif/ Adding structures of 4028060 via cif-deposit CGI script.	4028060.cif