Crystallography Open Database

Information card for entry 1504283

Preview

Coordinates	1504283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34.36 Cl2.64 N3 O2
Calculated formula	C34 H34.364 Cl2.636 N3 O2
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	9.294 ± 0.004 Å
b	10.196 ± 0.004 Å
c	18.474 ± 0.008 Å
α	85.694 ± 0.012°
β	83.861 ± 0.014°
γ	66.29 ± 0.013°
Cell volume	1592.7 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2534
Weighted residual factors for all reflections included in the refinement	0.2814
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	1504283.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504283.cif
39569	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504281, 1504282, 1504283, 1504284 via cif-deposit CGI script.	1504283.cif