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Information card for entry 1516094
Preview
Coordinates | 1516094.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H26 O8 |
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Calculated formula | C32 H26 O8 |
SMILES | CCOC(=O)c1c(O)c(Oc2ccc3c(c2)cccc3)c(c(c1Oc1ccc2c(c1)cccc2)O)C(=O)OCC |
Title of publication | Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core. |
Authors of publication | Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 6 |
Pages of publication | 1374 - 1377 |
a | 6.1693 ± 0.0007 Å |
b | 9.7194 ± 0.0011 Å |
c | 11.3573 ± 0.0013 Å |
α | 67.533 ± 0.011° |
β | 80.008 ± 0.01° |
γ | 86.414 ± 0.009° |
Cell volume | 619.77 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0952 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/1516094.html
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