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Information card for entry 4037048
Preview
Coordinates | 4037048.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H46 O3 Si2 |
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Calculated formula | C37 H46 O3 Si2 |
SMILES | [Si](Oc1ccc(cc1)C1(Oc2c(C=C1)c1ccccc1cc2)c1ccc(O[Si](C(C)(C)C)(C)C)cc1)(C)(C(C)(C)C)C |
Title of publication | Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels. |
Authors of publication | Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 17 |
Pages of publication | 7741 - 7750 |
a | 34.657 ± 0.002 Å |
b | 6.6454 ± 0.0004 Å |
c | 29.863 ± 0.002 Å |
α | 90° |
β | 94.62 ± 0.002° |
γ | 90° |
Cell volume | 6855.4 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.3461 |
Residual factor for significantly intense reflections | 0.1199 |
Weighted residual factors for significantly intense reflections | 0.2142 |
Weighted residual factors for all reflections included in the refinement | 0.2936 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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