Crystallography Open Database

Information card for entry 7110270

Preview

Coordinates	7110270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40
Calculated formula	C48 H40
Title of publication	Selective synthesis of [7]- and [8]cycloparaphenylenes
Authors of publication	Friederike Sibbel; Katsuma Matsui; Yasutomo Segawa; Armido Studer; Kenichiro Itami
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	954
a	18.34 ± 0.007 Å
b	22.335 ± 0.008 Å
c	8.218 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3366 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110270.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110270.cif
93870	2014-01-20	cif/ Adding structures of 7110270 via cif-deposit CGI script.	7110270.cif