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Information card for entry 4028359
Preview
Coordinates | 4028359.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H33 Cl N2 O9 |
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Calculated formula | C33 H33 Cl N2 O9 |
SMILES | O=C(OCC)c1ccccc1c1c2C(=O)Oc3c(c2[o+]c2c1ccc(N(CC)CC)c2)cc1c(N(CCC1)C)c3.Cl(=O)(=O)(=O)[O-] |
Title of publication | Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro |
Authors of publication | Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 6121 - 6130 |
a | 12.096 ± 0.002 Å |
b | 16.361 ± 0.003 Å |
c | 15.6 ± 0.003 Å |
α | 90° |
β | 104.3 ± 0.03° |
γ | 90° |
Cell volume | 2991.6 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1121 |
Residual factor for significantly intense reflections | 0.0976 |
Weighted residual factors for significantly intense reflections | 0.2352 |
Weighted residual factors for all reflections included in the refinement | 0.2465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
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/4028359.html
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