Crystallography Open Database

Information card for entry 1570370

Preview

Coordinates	1570370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H53 B O2 Sn
Calculated formula	C32 H53 B O2 Sn
Title of publication	A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters.
Authors of publication	Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	48
Pages of publication	14124 - 14130
a	10.8925 ± 0.0004 Å
b	19.7704 ± 0.0007 Å
c	15.6033 ± 0.0005 Å
α	90°
β	109.867 ± 0.001°
γ	90°
Cell volume	3160.17 ± 0.19 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288760 (current)	2024-01-06	cif/ Updating files of 1570370 Original log message: Adding full bibliography for 1570370.cif.	1570370.cif
287788	2023-11-25	cif/ Adding structures of 1570370 via cif-deposit CGI script.	1570370.cif