Information card for entry 1571514

Structure parameters

• Common name: the cyclopropane
• Formula: C247 H276 O48 Si8
• Calculated formula: C247 H276 O48 Si8
• 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: 12.6362 ± 0.0007 Å
• b: 18.9096 ± 0.0013 Å
• c: 25.048 ± 0.0017 Å
• α: 71.929 ± 0.002°
• β: 86.176 ± 0.002°
• γ: 73.612 ± 0.002°
• Cell volume: 5457.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No