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Information card for entry 2014933
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Coordinates | 2014933.cif |
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Original IUCr paper | HTML |
Common name | propomt |
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Chemical name | (E,E)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene |
Formula | C34 H42 O8 |
Calculated formula | C34 H42 O8 |
SMILES | CCCOc1cc(/C=C/c2c(OC)cc(cc2OC)OC)c(cc1/C=C/c1c(OC)cc(cc1OC)OC)OCCC |
Title of publication | (<i>E</i>,<i>E</i>)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene |
Authors of publication | Vande Velde, Christophe M.L.; Baeke, Jan K.; Geise, Herman J.; Blockhuys, Frank |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 5 |
Pages of publication | o284 - o287 |
a | 6.842 ± 0.003 Å |
b | 8.026 ± 0.002 Å |
c | 14.215 ± 0.003 Å |
α | 73.99 ± 0.02° |
β | 82.82 ± 0.03° |
γ | 86.17 ± 0.03° |
Cell volume | 744 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2201 |
Residual factor for significantly intense reflections | 0.0869 |
Weighted residual factors for significantly intense reflections | 0.2136 |
Weighted residual factors for all reflections included in the refinement | 0.2721 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 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/2014933.html
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