Crystallography Open Database

Information card for entry 4103822

Preview

Coordinates	4103822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 B Mo N7 O6
Calculated formula	C29 H33 B Mo N7 O6
Title of publication	Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-"Michael-like" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline
Authors of publication	Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	876 - 877
a	10.4754 ± 0.0002 Å
b	12.8534 ± 0.0002 Å
c	13.4732 ± 0.0003 Å
α	104.527 ± 0.001°
β	112.404 ± 0.001°
γ	103.191 ± 0.001°
Cell volume	1513.56 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178784 (current)	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 4/10/38.	4103822.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103822.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103822.cif
28297	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103822 via cif-deposit CGI script.	4103822.cif