Information card for entry 4037048

Structure parameters

• Formula: C37 H46 O3 Si2
• 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 ų
• 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