Crystallography Open Database

Information card for entry 4118495

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Coordinates	4118495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 O6 S2 Si
Calculated formula	C34 H40 O6 S2 Si
Title of publication	Cross-trienamines in Asymmetric Organocatalysis
Authors of publication	Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12943 - 12946
a	8.39375 ± 0.00013 Å
b	9.36061 ± 0.00012 Å
c	21.2883 ± 0.0004 Å
α	90°
β	97.9774 ± 0.0015°
γ	90°
Cell volume	1656.45 ± 0.05 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178955 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/84.	4118495.cif
76032	2013-03-14	cif/ Adding structures of 4118495 via cif-deposit CGI script.	4118495.cif