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Information card for entry 4505444
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Coordinates | 4505444.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | phe246OMT |
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Chemical name | 1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-3,5bis(2-phenylethoxy)benzene |
Formula | C44 H46 O8 |
Calculated formula | C44 H46 O8 |
SMILES | c1(/C=C/c2c(cc(cc2OC)OC)OC)c(cc(c(c1)OCCc1ccccc1)/C=C/c1c(cc(cc1OC)OC)OC)OCCc1ccccc1 |
Title of publication | The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes |
Authors of publication | Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank |
Journal of publication | Crystal Growth & Design |
Year of publication | 2004 |
Journal volume | 4 |
Journal issue | 4 |
Pages of publication | 823 |
a | 6.897 ± 0.002 Å |
b | 9.628 ± 0.002 Å |
c | 14.066 ± 0.002 Å |
α | 88.79 ± 0.02° |
β | 79.84 ± 0.02° |
γ | 87.72 ± 0.02° |
Cell volume | 918.6 ± 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 | 0.2316 |
Residual factor for significantly intense reflections | 0.0822 |
Weighted residual factors for significantly intense reflections | 0.2014 |
Weighted residual factors for all reflections included in the refinement | 0.2659 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
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/4505444.html
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Users of the data should acknowledge the original authors of the
structural data.