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Information card for entry 4028361
Preview
Coordinates | 4028361.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H30 N2 O4 S |
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Calculated formula | C31 H30 N2 O4 S |
SMILES | C1(=O)c2ccccc2C2(c3c(=O)oc4cc(ccc4c3Oc3cc(ccc23)N(CC)CC)N(CC)CC)S1 |
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 | 11.2476 ± 0.0005 Å |
b | 11.9832 ± 0.0006 Å |
c | 12.3358 ± 0.0004 Å |
α | 81.865 ± 0.003° |
β | 76.573 ± 0.003° |
γ | 63.038 ± 0.005° |
Cell volume | 1440.16 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1357 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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