Crystallography Open Database

Information card for entry 4084666

Preview

Coordinates	4084666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 O Ru
Calculated formula	C23 H22 O Ru
SMILES	[CH2]1=[C]2([C]3([Ru]45612([CH]1=[CH]4c2c([CH]6=[CH]5c4c1cccc4)cccc2)(C#[O])[CH2]=3)C)C
Title of publication	Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes
Authors of publication	Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6604
a	9.017 ± 0.003 Å
b	11.509 ± 0.003 Å
c	9.073 ± 0.003 Å
α	90°
β	104.913 ± 0.003°
γ	90°
Cell volume	909.9 ± 0.5 Å³
Cell temperature	199 K
Ambient diffraction temperature	199 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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
275193 (current)	2022-05-07	cif/4/08/46/ Replaced the '' sequences with backslash symbols ('\') in multiple data values in entries 4084662-4084666.	4084666.cif
178735	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46.	4084666.cif
131426	2015-02-07	cif/ Updating files of 4084661, 4084662, 4084663, 4084664, 4084665, 4084666 Original log message: Adding full bibliography for 4084661--4084666.cif.	4084666.cif
126676	2014-11-08	cif/ Adding structures of 4084661, 4084662, 4084663, 4084664, 4084665, 4084666 via cif-deposit CGI script.	4084666.cif