Crystallography Open Database

Information card for entry 1504969

Preview

Coordinates	1504969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 Cl3 O2 P2 Rh
Calculated formula	C29 H28 Cl3 O2 P2 Rh
SMILES	[Rh](Cl)(Cl)([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)(C(=O)CCl)C#[O]
Title of publication	Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.
Authors of publication	Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	23
Pages of publication	5469 - 5472
a	16.4539 ± 0.0015 Å
b	13.1086 ± 0.0015 Å
c	26.12 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5633.8 ± 0.9 Å³
Cell temperature	113.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.29
Diffraction radiation wavelength	0.7107 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.	1504969.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504969.cif
42509	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504967, 1504968, 1504969, 1504970 via cif-deposit CGI script.	1504969.cif