Crystallography Open Database

Information card for entry 4103595

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Structure parameters

Formula	C16 H20 O2 Si
Calculated formula	C16 H20 O2 Si
SMILES	[C@@]1(C(=C1)[Si](C)(C)C)(/C=C/c1ccccc1)C(=O)OC
Title of publication	Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates
Authors of publication	John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17211 - 17215
a	6.3748 ± 0.0003 Å
b	8.6854 ± 0.0003 Å
c	14.2983 ± 0.0006 Å
α	90°
β	92.48 ± 0.003°
γ	90°
Cell volume	790.92 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0387
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4103595.cif
178781	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 4/10/35.	4103595.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103595.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103595.cif
26628	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103595 via cif-deposit CGI script.	4103595.cif