Information card for entry 4031822

Structure parameters

• Common name: 11 in manuscript
• Formula: C40 H46 Cl4 N4 Si2
• Calculated formula: C40 H46 Cl4 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: 8.6568 ± 0.001 Å
• b: 14.0971 ± 0.0017 Å
• c: 17.111 ± 0.002 Å
• α: 77.906 ± 0.003°
• β: 85.32 ± 0.003°
• γ: 87.277 ± 0.004°
• Cell volume: 2034 ± 0.4 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: 0.0934
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1302
• 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