Crystallography Open Database

Information card for entry 1506996

Preview

Coordinates	1506996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 Cl2 Rh2
Calculated formula	C42 H40 Cl2 Rh2
SMILES	C(c1ccccc1)[C]12[Rh]345([C]6(=[CH]3[C@H]1C[C@@H]6[CH]=24)Cc1ccccc1)[Cl][Rh]123([C]4(=[CH]1[C@@H]1[C]2(=[CH]3[C@H]4C1)Cc1ccccc1)Cc1ccccc1)[Cl]5
Title of publication	Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds.
Authors of publication	Shintani, Ryo; Ueyama, Kazuhito; Yamada, Ichiro; Hayashi, Tamio
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	19
Pages of publication	3425 - 3427
a	28.551 ± 0.009 Å
b	5.731 ± 0.002 Å
c	12.165 ± 0.003 Å
α	90°
β	107.15 ± 0.02°
γ	90°
Cell volume	1902 ± 1 Å³
Cell temperature	123.1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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.	1506996.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506996.cif
51593	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506996 via cif-deposit CGI script.	1506996.cif