Information card for entry 1508878

Structure parameters

• Formula: C32 H30 O3 Si
• Calculated formula: C32 H30 O3 Si
• SMILES: [Si](O)(O)(c1c2c(cc3c1cccc3)cccc2)c1c2c(cc3c1cccc3)cccc2.O(CC)CC
• Title of publication: Ratiometric Fluorescence Detection of Anions by Silanediol-based Receptors Bearing Anthryl and Pyrenyl Groups.
• Authors of publication: Kondo, Shin-Ichi; Bie, Yi; Yamamura, Masaki
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 520 - 523
• a: 9.688 ± 0.001 Å
• b: 10.4402 ± 0.0012 Å
• c: 12.9565 ± 0.0014 Å
• α: 89.249 ± 0.009°
• β: 80.806 ± 0.008°
• γ: 85.661 ± 0.009°
• Cell volume: 1289.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No