Crystallography Open Database

Information card for entry 2239258

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Structure parameters

Chemical name	(Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate
Formula	C33 H39 B N2 O
Calculated formula	C33 H39 B N2 O
Title of publication	(Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate
Authors of publication	Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	4
Pages of publication	o459
a	11.2463 ± 0.0004 Å
b	17.7975 ± 0.0009 Å
c	14.6666 ± 0.0007 Å
α	90°
β	100.821 ± 0.003°
γ	90°
Cell volume	2883.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0864
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181892 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92.	2239258.cif 2239258.hkl
181311	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/92.	2239258.cif 2239258.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239258.cif 2239258.hkl
108830	2014-04-03	cif/ hkl/ Adding structures of 2239258 via cif-deposit CGI script.	2239258.cif 2239258.hkl