Crystallography Open Database

Information card for entry 4113130

Preview

Coordinates	4113130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H47 B N2 O3
Calculated formula	C26 H47 B N2 O3
SMILES	B1(OC(C)(C)C(O1)(C)C)[C@H]([C@H]([C@H](C(=N\N(C)C)\C1CCCCC1)C)C)[C@@H]1CC(=O)CCC1.B1(OC(C)(C)C(O1)(C)C)[C@@H]([C@@H]([C@@H](C(=N\N(C)C)\C1CCCCC1)C)C)[C@H]1CC(=O)CCC1
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	6.891 ± 0.0004 Å
b	16.614 ± 0.0012 Å
c	24.756 ± 0.0017 Å
α	90°
β	95.8 ± 0.004°
γ	90°
Cell volume	2819.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2186
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
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.	4113130.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113130.cif
65551	2012-09-05	cif/ Adding structures of 4113130 via cif-deposit CGI script.	4113130.cif