Information card for entry 7132925

Structure parameters

• Formula: C37 H37 N3 Si3
• Calculated formula: C37 H37 N3 Si3
• 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: 12.98096 ± 0.00008 Å
• b: 26.6317 ± 0.0002 Å
• c: 10.50266 ± 0.00007 Å
• α: 90°
• β: 91.5598 ± 0.0006°
• γ: 90°
• Cell volume: 3629.48 ± 0.04 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No