Crystallography Open Database

Information card for entry 7115445

Preview

Coordinates	7115445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 B F4 O2 P
Calculated formula	C28 H24 B F4 O2 P
Title of publication	A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts
Authors of publication	Kyle D. Reichl; Alexander T. Radosevich
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	9302
a	9.794 ± 0.005 Å
b	11.579 ± 0.005 Å
c	12.366 ± 0.006 Å
α	72.176 ± 0.009°
β	86.868 ± 0.009°
γ	76.456 ± 0.009°
Cell volume	1297.7 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180268 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/54.	7115445.cif
125078	2014-10-08	cif/ Adding structures of 7115445, 7115446, 7115447, 7115448, 7115449 via cif-deposit CGI script.	7115445.cif