Crystallography Open Database

Information card for entry 1507834

Preview

Coordinates	1507834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H54
Calculated formula	C66 H54
Title of publication	Selective synthesis and crystal structure of [10]cycloparaphenylene.
Authors of publication	Kayahara, Eiichi; Sakamoto, Yoichi; Suzuki, Toshiyasu; Yamago, Shigeru
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	3284 - 3287
a	15.8912 ± 0.0016 Å
b	8.1477 ± 0.0006 Å
c	21.033 ± 0.002 Å
α	90°
β	108.855 ± 0.002°
γ	90°
Cell volume	2577.2 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2008
Weighted residual factors for all reflections included in the refinement	0.2207
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.7107 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.	1507834.cif
113479	2014-05-13	cif/ Updating files of 1507834 Original log message: Adding full bibliography for 1507834.cif.	1507834.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507834.cif
62322	2012-07-07	cif/ Adding structures of 1507834 via cif-deposit CGI script.	1507834.cif