Crystallography Open Database

Information card for entry 1518639

Preview

Coordinates	1518639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H40 B N O4 Si
Calculated formula	C33 H40 B N O4 Si
Title of publication	Silicon-tethered strategy for copper(i)-catalyzed stereo- and regioselective alkylboration of alkynes.
Authors of publication	Kubota, Koji; Iwamoto, Hiroaki; Yamamoto, Eiji; Ito, Hajime
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	620 - 623
a	13.3949 ± 0.001 Å
b	14.3478 ± 0.0012 Å
c	15.283 ± 0.0012 Å
α	90°
β	92.281 ± 0.003°
γ	90°
Cell volume	2934.9 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.3491
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518639.cif
132993	2015-03-04	cif/ Updating files of 1518639 Original log message: Adding full bibliography for 1518639.cif.	1518639.cif
130865	2015-02-04	cif/ Adding structures of 1518639 via cif-deposit CGI script.	1518639.cif