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Information card for entry 1503229
Preview
Coordinates | 1503229.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H50 O4 |
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Calculated formula | C46 H50 O4 |
SMILES | CC(C)Oc1ccc(cc1)C(=Cc1ccc(cc1)C=C(c1ccc(cc1)OC(C)C)c1ccc(cc1)OC(C)C)c1ccc(cc1)OC(C)C |
Title of publication | Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission. |
Authors of publication | An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 19 |
Pages of publication | 4364 - 4367 |
a | 12.763 ± 0.005 Å |
b | 13.447 ± 0.005 Å |
c | 14.34 ± 0.005 Å |
α | 65.731 ± 0.007° |
β | 66.619 ± 0.007° |
γ | 62.46 ± 0.006° |
Cell volume | 1923.2 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.2525 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1579 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1503229.html
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Users of the data should acknowledge the original authors of the
structural data.