Information card for entry 7117854

Structure parameters

• Common name: 17 in manuscript
• Formula: C68 H66 Cl0 N4 Si2
• Calculated formula: C68 H66 N4 Si2
• 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: 18.069 ± 0.0012 Å
• b: 24.9858 ± 0.0017 Å
• c: 29.3954 ± 0.0019 Å
• α: 90°
• β: 101.471 ± 0.0017°
• γ: 90°
• Cell volume: 13006 ± 1.5 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: 0.1386
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No