Information card for entry 4037047

Structure parameters

• Formula: C31 H30 O2 Si
• Calculated formula: C31 H30 O2 Si
• 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: 7.605 ± 0.002 Å
• b: 10.832 ± 0.003 Å
• c: 31.237 ± 0.009 Å
• α: 99.565 ± 0.005°
• β: 94.919 ± 0.005°
• γ: 91.051 ± 0.005°
• Cell volume: 2526.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1904
• Residual factor for significantly intense reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.3606
• Weighted residual factors for all reflections included in the refinement: 0.4022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No