Crystallography Open Database

Information card for entry 7124850

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Coordinates	7124850.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PB-3-33
Formula	C32 H64 B Li O8
Calculated formula	C32 H64 B Li O8
Title of publication	The copper-catalysed Suzuki-Miyaura coupling of alkylboron reagents: disproportionation of anionic (alkyl)(alkoxy)borates to anionic dialkylborates prior to transmetalation.
Authors of publication	Basnet, Prakash; Thapa, Surendra; Dickie, Diane A.; Giri, Ramesh
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	74
Pages of publication	11072 - 11075
a	10.6111 ± 0.0003 Å
b	22.4729 ± 0.0006 Å
c	14.576 ± 0.0004 Å
α	90°
β	92.676 ± 0.002°
γ	90°
Cell volume	3472.03 ± 0.17 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
234287 (current)	2019-11-23	cif/ Adding structures of 7124850, 7124851 via cif-deposit CGI script.	7124850.cif