Crystallography Open Database

Information card for entry 4112081

4112080 << 4112081 >> 4112082

Preview

Coordinates	4112081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H102 Cl6 F6 O14 P2 Pd S2
Calculated formula	C78 H102 Cl5.99 F6 O14 P2 Pd S2
Title of publication	Catalytic Enantioselective Conia-Ene Reaction
Authors of publication	Britton K. Corkey; F. Dean Toste
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17168 - 17169
a	14.1334 ± 0.0004 Å
b	14.1334 ± 0.0004 Å
c	43.546 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8698.4 ± 0.7 Å³
Cell temperature	162.2 K
Number of distinct elements	8
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.0305
Goodness-of-fit parameter for all reflections included in the refinement	0.87
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112081.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112081.cif
63701	2012-08-06	cif/ Adding structures of 4112081 via cif-deposit CGI script.	4112081.cif