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Information card for entry 2230069
Preview
Coordinates | 2230069.cif |
---|---|
Structure factors | 2230069.hkl |
Original IUCr paper | HTML |
Common name | 1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane |
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Chemical name | 2,2,4,4,6,6,8,8-octaphenyl-1,5,3,7,2,4,6,8-dioxadiazatetrasilocane |
Formula | C48 H42 N2 O2 Si4 |
Calculated formula | C48 H42 N2 O2 Si4 |
SMILES | c1(ccccc1)[Si]1(c2ccccc2)N[Si](O[Si](c2ccccc2)(c2ccccc2)N[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | 1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane |
Authors of publication | Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | o1233 |
a | 12.1188 ± 0.0018 Å |
b | 17.016 ± 0.003 Å |
c | 20.621 ± 0.003 Å |
α | 90° |
β | 93.216 ± 0.003° |
γ | 90° |
Cell volume | 4245.6 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1168 |
Weighted residual factors for all reflections included in the refinement | 0.1204 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2230069.html
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Users of the data should acknowledge the original authors of the
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