Crystallography Open Database

Information card for entry 1503368

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Coordinates	1503368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H56 Cl2 O2 Rh2
Calculated formula	C34 H56 Cl2 O2 Rh2
SMILES	[Rh]1234([Cl][Rh]567([Cl]1)[C]1(=[CH]5[C@@H]5[CH]6=[CH]7[C@H]1CC5)C(O)(CC(C)C)CC(C)C)[C]1([C@H]5[CH]2=[CH]3[C@@H]([CH]4=1)CC5)C(O)(CC(C)C)CC(C)C
Title of publication	Catalytic enantioselective formation of chiral-bridged dienes which are themselves ligands for enantioselective catalysis.
Authors of publication	Brown, M. Kevin; Corey, E. J.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	172 - 175
a	9.2436 ± 0.0017 Å
b	15.171 ± 0.003 Å
c	24.757 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3471.8 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0529
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1503368.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503368.cif
37242	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503368 via cif-deposit CGI script.	1503368.cif