Crystallography Open Database

Information card for entry 1517945

Preview

Coordinates	1517945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H64 Cl2 N4 O8 P4 Rh2
Calculated formula	C83 H64 Cl2 N4 O8 P4 Rh2
Title of publication	Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.
Authors of publication	Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	5490 - 5493
a	10.1059 ± 0.0009 Å
b	20.1867 ± 0.0017 Å
c	17.7321 ± 0.0016 Å
α	90°
β	104.134 ± 0.002°
γ	90°
Cell volume	3507.9 ± 0.5 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 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.	1517945.cif
127247	2014-11-12	cif/ Updating files of 1517944, 1517945 Original log message: Adding full bibliography for 1517944--1517945.cif.	1517945.cif
125042	2014-10-07	cif/ Adding structures of 1517945 via cif-deposit CGI script.	1517945.cif