Information card for entry 4331031

Structure parameters

• Chemical name: Octakis(3-(propyl)-1,2-benzisothiazole-1,1-dioxide)octasilsesquioxane
• Formula: C100 H76 N10 O45 S10 Si10
• Calculated formula: C80 H81 N8 O36 S8 Si8
• Title of publication: Synthesis and Reactivity of Nitrogen Nucleophiles-Induced Cage-Rearrangement Silsesquioxanes
• Authors of publication: Thapakorn Jaroentomeechai; Pa-kwan Yingsukkamol; Chuttree Phurat; Ekasith Somsook; Tanakorn Osotchan; Vuthichai Ervithayasuporn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12266 - 12272
• a: 9.7162 ± 0.0011 Å
• b: 15.21 ± 0.002 Å
• c: 32.723 ± 0.005 Å
• α: 91.598 ± 0.005°
• β: 90.01 ± 0.006°
• γ: 90.025 ± 0.005°
• Cell volume: 4834 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3815
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No