Crystallography Open Database

Information card for entry 1504507

Preview

Coordinates	1504507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H62
Calculated formula	C75 H48
Title of publication	Enantiopure anthrylene-ethynylene cyclic tetramer and racemization via rotation of anthracene unit about acetylenic axes.
Authors of publication	Ishikawa, Takeharu; Shimasaki, Toshiaki; Akashi, Haruo; Toyota, Shinji
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	3
Pages of publication	417 - 420
a	13.5511 ± 0.0019 Å
b	14.798 ± 0.002 Å
c	14.896 ± 0.003 Å
α	106.893 ± 0.006°
β	108.34 ± 0.007°
γ	101.25 ± 0.005°
Cell volume	2574.5 ± 0.8 Å³
Cell temperature	93.1 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.254
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504507.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504507.cif
42123	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504507 via cif-deposit CGI script.	1504507.cif