Crystallography Open Database

Information card for entry 2005198

2005197 << 2005198 >> 2005199

Preview

Coordinates	2005198.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	N,N'-Bis[trans-2-phenyl-5-triphenylstannylmethoxymethyl-1,3-dioxan-5-yl]- ethanediamide.
Formula	C62 H60 N2 O8 Sn2
Calculated formula	C62 H60 N2 O8 Sn2
SMILES	C(=O)(C(=O)NC1(COC(c2ccccc2)OC1)COC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)NC1(COC[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)COC(c2ccccc2)OC1
Title of publication	<i>N</i>,<i>N</i>'-Bis[<i>trans</i>-2-phenyl-5-(triphenylstannylmethoxymethyl)-1,3-dioxan-5-yl]ethanediamide
Authors of publication	Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	8
Pages of publication	1961 - 1963
a	6.177 ± 0.0007 Å
b	9.747 ± 0.001 Å
c	23.236 ± 0.002 Å
α	86.94 ± 0.01°
β	89.599 ± 0.009°
γ	77.619 ± 0.009°
Cell volume	1364.5 ± 0.2 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for all reflections	0.0691
Weighted residual factors for significantly intense reflections	0.0657
Goodness-of-fit parameter for all reflections	1.049
Goodness-of-fit parameter for significantly intense reflections	1.091
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.