Information card for entry 4028102

Structure parameters

• Formula: C44 H52 N2 O2 Si2
• Calculated formula: C44 H52 N2 O2 Si2
• Title of publication: Alkynylated Diazadioxaacenes: Syntheses and Properties
• Authors of publication: Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3142 - 3150
• a: 32 ± 0.005 Å
• b: 7.9673 ± 0.0011 Å
• c: 34.764 ± 0.004 Å
• α: 90°
• β: 113.32 ± 0.004°
• γ: 90°
• Cell volume: 8139 ± 2 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: 0.1337
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No