Information card for entry 4032595

Structure parameters

• Formula: C26 H28 F2 O3 Si2
• Calculated formula: C26 H28 F2 O3 Si2
• SMILES: [Si](c1ccc(F)c2ccccc12)(O)(O[Si](O)(C(C)C)C(C)C)c1ccc(F)c2ccccc12
• Title of publication: Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.
• Authors of publication: Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 6738 - 6747
• a: 8.51 ± 0.0008 Å
• b: 11.4993 ± 0.001 Å
• c: 12.8103 ± 0.0011 Å
• α: 86.11 ± 0.003°
• β: 72.9 ± 0.003°
• γ: 79.733 ± 0.003°
• Cell volume: 1178.84 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No