Information card for entry 4028098

Structure parameters

• Formula: C32 H46 N2 O2 Si2
• Calculated formula: C32 H46 N2 O2 Si2
• SMILES: [Si](C#Cc1c2Oc3c(Oc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)nccn3)(C(C)C)(C(C)C)C(C)C
• 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: 8.1824 ± 0.0007 Å
• b: 13.9297 ± 0.0012 Å
• c: 15.7861 ± 0.0014 Å
• α: 71.224 ± 0.002°
• β: 77.184 ± 0.002°
• γ: 77.313 ± 0.002°
• Cell volume: 1639.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No