Information card for entry 7132924

Structure parameters

• Formula: C30 H30 Si3
• Calculated formula: C30 H30 Si3
• SMILES: c1(ccccc1)[Si]1(c2ccccc2)CC#CC[Si](c2ccccc2)(c2ccccc2)[Si]1(C)C
• Title of publication: Angle-strained sila-cycloalkynes.
• Authors of publication: Wakefield, 4th, Herbert; Melvin, Sophia J.; Jiang, Jennifer; Kevlishvili, Ilia; Siegler, Maxime A.; Craig, Stephen L.; Kulik, Heather J.; Klausen, Rebekka S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 36
• Pages of publication: 4842 - 4845
• a: 9.9325 ± 0.0004 Å
• b: 18.2411 ± 0.0006 Å
• c: 15.0008 ± 0.0006 Å
• α: 90°
• β: 102.356 ± 0.004°
• γ: 90°
• Cell volume: 2654.89 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No