Crystallography Open Database

Information card for entry 4106333

Preview

Coordinates	4106333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H44 O Si
Calculated formula	C31 H44 O Si
SMILES	[Si](O[C@H]1C(=C)[C@@H]2CC[C@]3(c4ccc5ccccc5c4CC[C@@H]3[C@]2(CC1)C)C)(C)(C)C(C)(C)C
Title of publication	A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade
Authors of publication	Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Journal issue	25
Pages of publication	9724 - 9726
a	7.4228 ± 0.0013 Å
b	17.014 ± 0.003 Å
c	22.026 ± 0.004 Å
α	90°
β	96.464 ± 0.003°
γ	90°
Cell volume	2764 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
219273 (current)	2019-10-11	cif/4/ Updated bibliographic information in entries 4106333, 4121883.	4106333.cif
178809	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/63.	4106333.cif
107638	2014-03-21	cif/4 Fixing some wrong formula/Z values	4106333.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106333.cif
53132	2012-04-17	cif/ Adding structures of 4106333 via cif-deposit CGI script.	4106333.cif