Crystallography Open Database

Information card for entry 1504745

Preview

Coordinates	1504745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H54 Br2 N2 O11 P2 S2
Calculated formula	C43 H54 Br2 N2 O11 P2 S2
Title of publication	Practical enantioselective synthesis of axially chiral biaryl diphosphonates and dicarboxylates by cationic rhodium(I)/Segphos-catalyzed double [2 + 2 + 2] cycloaddition.
Authors of publication	Nishida, Goushi; Ogaki, Shuichiro; Yusa, Yukinori; Yokozawa, Tohru; Noguchi, Keiichi; Tanaka, Ken
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	13
Pages of publication	2849 - 2852
a	17.2078 ± 0.0003 Å
b	11.5303 ± 0.0002 Å
c	12.0049 ± 0.0002 Å
α	90°
β	102.513 ± 0.001°
γ	90°
Cell volume	2325.33 ± 0.07 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	1504745.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504745.cif
42334	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504745 via cif-deposit CGI script.	1504745.cif