Crystallography Open Database

Information card for entry 4109154

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Structure parameters

Formula	C16 H21 Br O
Calculated formula	C16 H21 Br O
Title of publication	Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes
Authors of publication	Britton K. Corkey; F. Dean Toste
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2764 - 2765
a	10.06 ± 0.004 Å
b	7.049 ± 0.003 Å
c	10.34 ± 0.004 Å
α	90°
β	93.678 ± 0.006°
γ	90°
Cell volume	731.7 ± 0.5 Å³
Cell temperature	273.2 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	0.1289
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for all reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
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.	4109154.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109154.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109154.cif
57909	2012-05-23	cif/ Adding structures of 4109154 via cif-deposit CGI script.	4109154.cif