Information card for entry 4037046

Structure parameters

• Formula: C33 H44 O3 Si2
• Calculated formula: C33 H44 O3 Si2
• SMILES: [Si](Oc1ccc(C2(Oc3ccccc3C=C2)c2ccc(O[Si](C(C)(C)C)(C)C)cc2)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: 6.1609 ± 0.0003 Å
• b: 13.353 ± 0.0006 Å
• c: 18.5067 ± 0.0008 Å
• α: 90°
• β: 92.234 ± 0.001°
• γ: 90°
• Cell volume: 1521.32 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No