Information card for entry 7117848

Structure parameters

• Common name: 1 in manuscript
• Formula: C28 H42 N4 S2 Si2
• Calculated formula: C28 H42 N4 S2 Si2
• SMILES: C(#C[Si](C(C)C)(C(C)C)C(C)C)C1c2nsnc2C(C#C[Si](C(C)C)(C(C)C)C(C)C)c2c1nsn2
• Title of publication: Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine
• Authors of publication: Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14844
• a: 8.5203 ± 0.0003 Å
• b: 15.4125 ± 0.0006 Å
• c: 11.7589 ± 0.0005 Å
• α: 90°
• β: 99.3033 ± 0.0009°
• γ: 90°
• Cell volume: 1523.86 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No