Information card for entry 1571512

Structure parameters

• Common name: 21152z
• Formula: C32.5 H32.5 Cl1.5 O9 Si
• Calculated formula: C32.5 H32.5 Cl1.5 O9 Si
• Title of publication: Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.
• Authors of publication: Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 8181 - 8189
• a: 9.514 ± 0.002 Å
• b: 12.361 ± 0.003 Å
• c: 13.998 ± 0.004 Å
• α: 76.32 ± 0.012°
• β: 77.845 ± 0.008°
• γ: 79.645 ± 0.009°
• Cell volume: 1548.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1567
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2893
• Weighted residual factors for all reflections included in the refinement: 0.3364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No