Information card for entry 4037045

Structure parameters

• Formula: C27 H30 O2 Si
• Calculated formula: C27 H30 O2 Si
• SMILES: C([Si](C)(C)Oc1ccc(cc1)C1(Oc2ccccc2C=C1)c1ccccc1)(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: 6.2258 ± 0.0003 Å
• b: 12.6033 ± 0.0005 Å
• c: 15.3627 ± 0.0006 Å
• α: 106.18 ± 0.001°
• β: 93.364 ± 0.001°
• γ: 98.321 ± 0.001°
• Cell volume: 1139.28 ± 0.08 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: 0.0552
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No