Crystallography Open Database

Information card for entry 1506575

Preview

Coordinates	1506575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cl2 F5 O2 P2 Rh
Calculated formula	C14 H18 Cl2 F5 O2 P2 Rh
SMILES	[Rh](Cl)(Cl)([P](C)(C)C)([P](C)(C)C)(C(=O)c1c(F)c(F)c(F)c(F)c1F)C#[O]
Title of publication	CO-retentive addition reactions of fluorinated acid chlorides to alkynes.
Authors of publication	Kashiwabara, Taigo; Kataoka, Kyoko; Hua, Ruimao; Shimada, Shigeru; Tanaka, Masato
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	11
Pages of publication	2241 - 2244
a	12.335 ± 0.003 Å
b	19.218 ± 0.003 Å
c	8.483 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2010.9 ± 0.8 Å³
Cell temperature	183 ± 1 K
Ambient diffraction temperature	183 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	1506575.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506575.cif
50417	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506575 via cif-deposit CGI script.	1506575.cif