Information card for entry 4512099

Structure parameters

• Common name: 6 in manuscript
• Formula: C38 H47 Br3 N2 Si2
• Calculated formula: C38 H47 Br3 N2 Si2
• Title of publication: Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?
• Authors of publication: Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5962
• a: 35.2753 ± 0.0013 Å
• b: 15.2226 ± 0.0005 Å
• c: 14.7459 ± 0.0005 Å
• α: 90°
• β: 104.246 ± 0.001°
• γ: 90°
• Cell volume: 7674.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No