Information card for entry 1551823

Structure parameters

• Formula: C34 H34 F6 O6 S2 Si2
• Calculated formula: C34 H34 F6 O6 S2 Si2
• SMILES: S(=O)(=O)(Oc1c([Si](C)(C)C)cc(C(=C(c2ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c2)\c2ccccc2)\c2ccccc2)cc1)C(F)(F)F
• Title of publication: Benzyne‒azide polycycloaddition: a facile route toward functional polybenzotriazoles
• Authors of publication: Xin, Dehua; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 31
• Pages of publication: 4271
• a: 18.689 ± 0.0002 Å
• b: 9.2907 ± 0.0001 Å
• c: 20.9995 ± 0.0002 Å
• α: 90°
• β: 93.745 ± 0.001°
• γ: 90°
• Cell volume: 3638.44 ± 0.07 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No