Information card for entry 4112523

Structure parameters

• Formula: C48 H48 O Si
• Calculated formula: C48 H48 O Si
• SMILES: [Si]12(OC3(c4c(C2=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)cccc4)C1CC2CC3CC(C2)C1)C1C2CC3CC(CC1C3)C2
• Title of publication: Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone
• Authors of publication: Irina S. Toulokhonova; Ilia A. Guzei; Robert West
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5336 - 5337
• a: 14.2755 ± 0.0017 Å
• b: 15.4092 ± 0.0018 Å
• c: 19.496 ± 0.002 Å
• α: 97.471 ± 0.002°
• β: 104.111 ± 0.002°
• γ: 115.452 ± 0.002°
• Cell volume: 3618 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1539
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2221
• 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: No
• Has Fobs: No