Crystallography Open Database

Information card for entry 4123948

Preview

Coordinates	4123948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H37 B Li N O2 Si
Calculated formula	C21 H37 B Li N O2 Si
Title of publication	Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.
Authors of publication	Brown, Alec N.; Li, Bo; Liu, Shih-Yuan
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	28
Pages of publication	8932 - 8935
a	7.6489 ± 0.0004 Å
b	17.3794 ± 0.0008 Å
c	17.2195 ± 0.0008 Å
α	90°
β	96.646 ± 0.002°
γ	90°
Cell volume	2273.66 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0616
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
152860 (current)	2015-08-05	cif/ Updating files of 4123948, 4123949 Original log message: Adding full bibliography for 4123948--4123949.cif.	4123948.cif
141521	2015-07-10	cif/ Adding structures of 4123948 via cif-deposit CGI script.	4123948.cif