Crystallography Open Database

Information card for entry 1504205

Preview

Coordinates	1504205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 O2.96
Calculated formula	C30 H34 O2.954
Title of publication	A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.
Authors of publication	Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	20
Pages of publication	4656 - 4659
a	21.0561 ± 0.0003 Å
b	21.0561 ± 0.0003 Å
c	14.3941 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	5526.77 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1504205.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504205.cif
39496	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504205 via cif-deposit CGI script.	1504205.cif