Crystallography Open Database

Information card for entry 4123694

Preview

Coordinates	4123694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 B N O3.5
Calculated formula	C16 H25 B N O3.5
Title of publication	Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.
Authors of publication	Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	21
Pages of publication	6746 - 6749
a	9.5606 ± 0.0014 Å
b	9.5606 ± 0.0014 Å
c	37.597 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3436.6 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4123694.cif
138230	2015-06-05	cif/ Updating files of 4123693, 4123694 Original log message: Adding full bibliography for 4123693--4123694.cif.	4123694.cif
136991	2015-05-20	cif/ Adding structures of 4123694 via cif-deposit CGI script.	4123694.cif