Crystallography Open Database

Information card for entry 1504284

Preview

Coordinates	1504284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H86 F12 N6 O18 S4
Calculated formula	C76 H86 F12 N6 O18 S4
Title of publication	Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.
Authors of publication	Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	23
Pages of publication	5426 - 5429
a	6.815 ± 0.004 Å
b	14.674 ± 0.01 Å
c	20.572 ± 0.01 Å
α	70.543 ± 0.019°
β	80.424 ± 0.018°
γ	84.6 ± 0.02°
Cell volume	1911 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.199
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2053
Weighted residual factors for all reflections included in the refinement	0.26
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
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.	1504284.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504284.cif
39569	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504281, 1504282, 1504283, 1504284 via cif-deposit CGI script.	1504284.cif