Information card for entry 4031820

Structure parameters

• Common name: 6b in manuscript
• Formula: C40 H48 Br4 N4 Si2
• Calculated formula: C40 H48 Br4 N4 Si2
• Title of publication: Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.
• Authors of publication: Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 1198 - 1205
• a: 7.2 ± 0.003 Å
• b: 8.974 ± 0.004 Å
• c: 17.429 ± 0.007 Å
• α: 81.59 ± 0.011°
• β: 82.046 ± 0.012°
• γ: 77.789 ± 0.011°
• Cell volume: 1082.1 ± 0.8 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: 0.2023
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.2871
• Weighted residual factors for all reflections included in the refinement: 0.3298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No