Crystallography Open Database

Information card for entry 4126227

Preview

Coordinates	4126227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H47 B O Si
Calculated formula	C26 H47 B O Si
Title of publication	Uncatalyzed Carboboration of Seven-Membered-Ring trans-Alkenes: Formation of Air-Stable Trialkylboranes.
Authors of publication	Sanzone, Jillian R.; Hu, Chunhua T.; Woerpel, K. A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	25
Pages of publication	8404 - 8407
a	10.3814 ± 0.0004 Å
b	8.5313 ± 0.0003 Å
c	30.7969 ± 0.0011 Å
α	90°
β	99.6603 ± 0.0005°
γ	90°
Cell volume	2688.91 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0508
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
200668 (current)	2017-09-12	cif/ Updating files of 4126227, 4126228 Original log message: Adding full bibliography for 4126227--4126228.cif.	4126227.cif
197890	2017-06-17	cif/ Adding structures of 4126227 via cif-deposit CGI script.	4126227.cif