Crystallography Open Database

Information card for entry 7112822

Preview

Coordinates	7112822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Au B Cl2 F4 N3
Calculated formula	C33 H43 Au B Cl2 F4 N3
SMILES	[Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1.[B](F)(F)(F)[F-].C(Cl)Cl
Title of publication	Ligand influence in the selective gold-mediated synthesis of allenes.
Authors of publication	Nun, Pierrick; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	48
Pages of publication	9113 - 9115
a	9.473 ± 0.002 Å
b	17.138 ± 0.004 Å
c	11.355 ± 0.003 Å
α	90°
β	106.525 ± 0.007°
γ	90°
Cell volume	1767.3 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180242 (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 7/11/28.	7112822.cif
112107	2014-04-29	cif/ Adding structures of 7112821, 7112822 via cif-deposit CGI script.	7112822.cif