Crystallography Open Database

Information card for entry 2008217

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Coordinates	2008217.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium
Formula	C40 H66 B F4 N4 O9 P3
Calculated formula	C40 H66 B F4 N4 O9 P3
Title of publication	Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines
Authors of publication	Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	3
Pages of publication	373 - 377
a	18.1459 ± 0.0006 Å
b	18.1459 ± 0.0006 Å
c	12.2532 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	3494.1 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.042
Weighted residual factors for all reflections	0.048
Weighted residual factors for significantly intense reflections	0.048
Goodness-of-fit parameter for all reflections	1.518
Goodness-of-fit parameter for all reflections included in the refinement	1.517
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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