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Information card for entry 4505443
Preview
Coordinates | 4505443.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 246hexOMT |
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Chemical name | 1,4-bis(2,4,6-trimethoxyphenylethenyl)-2,5-dihexoxybenzene |
Formula | C40 H54 O8 |
Calculated formula | C40 H54 O8 |
SMILES | c1(OCCCCCC)c(cc(c(c1)/C=C/c1c(cc(cc1OC)OC)OC)OCCCCCC)/C=C/c1c(cc(cc1OC)OC)OC |
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 | 8.174 ± 0.002 Å |
b | 15.302 ± 0.004 Å |
c | 16.32 ± 0.004 Å |
α | 90° |
β | 115.947 ± 0.018° |
γ | 90° |
Cell volume | 1835.5 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2274 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.158 |
Weighted residual factors for all reflections included in the refinement | 0.2057 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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