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Information card for entry 2005198
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Coordinates | 2005198.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N,N'-Bis[trans-2-phenyl-5-triphenylstannylmethoxymethyl-1,3-dioxan-5-yl]- ethanediamide. |
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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 Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2005198.html
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