Crystallography Open Database

Information card for entry 4113129

Preview

Coordinates	4113129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H35 B O3
Calculated formula	C18 H35 B O3
SMILES	CC(C(=O)[C@H]([C@H]([C@@H](CCC)B1OC(C(C)(C)O1)(C)C)C)C)C.CC(C(=O)[C@@H]([C@@H]([C@H](CCC)B1OC(C(C)(C)O1)(C)C)C)C)C
Title of publication	Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers
Authors of publication	Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	14344 - 14345
a	9.725 ± 0.005 Å
b	10.608 ± 0.005 Å
c	11.225 ± 0.005 Å
α	79.6 ± 0.005°
β	67.79 ± 0.005°
γ	71.001 ± 0.005°
Cell volume	1011.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2049
Residual factor for significantly intense reflections	0.1816
Weighted residual factors for significantly intense reflections	0.441
Weighted residual factors for all reflections included in the refinement	0.5057
Goodness-of-fit parameter for all reflections included in the refinement	1.816
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178902 (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 4/11/31.	4113129.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113129.cif
65550	2012-09-05	cif/ Adding structures of 4113129 via cif-deposit CGI script.	4113129.cif