Information card for entry 4512098

Structure parameters

• Common name: 5 in manuscript
• Formula: C38 H48 Br2 N2 Si2
• Calculated formula: C38 H48 Br2 N2 Si2
• SMILES: Brc1cc2nc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3nc2cc1Br)cccc4
• 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: 13.244 ± 0.004 Å
• b: 15.75 ± 0.005 Å
• c: 18.711 ± 0.006 Å
• α: 96.878 ± 0.007°
• β: 100.07 ± 0.007°
• γ: 90.069 ± 0.007°
• Cell volume: 3814 ± 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: 0.1653
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No