Information card for entry 1543832

Structure parameters

• Formula: C31 H37 O Si
• Calculated formula: C31 H37 O Si
• Title of publication: Kinetically Blocked Stable 5,6:12,13-Dibenzozethrene: A Laterally π-Extended Zethrene with Enhanced Diradical Character.
• Authors of publication: Yadav, Priya; Das, Soumyajit; Phan, Hoa; Herng, Tun Seng; Ding, Jun; Wu, Jishan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2886 - 2889
• a: 36.1249 ± 0.0019 Å
• b: 17.0168 ± 0.0009 Å
• c: 8.3417 ± 0.0004 Å
• α: 90°
• β: 93.726 ± 0.003°
• γ: 90°
• Cell volume: 5117.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No