Information card for entry 4513660

Structure parameters

• Formula: C41 H50 Cl2 N6 S Si2
• Calculated formula: C41 H50 Cl2 N6 S Si2
• Title of publication: Highly Ordered Phenanthroline-Fused Azaacene
• Authors of publication: An, Cunbin; Guo, Xin; Baumgarten, Martin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5240
• a: 8.0609 ± 0.0006 Å
• b: 16.2948 ± 0.0011 Å
• c: 17.462 ± 0.0012 Å
• α: 70.798 ± 0.005°
• β: 85.053 ± 0.006°
• γ: 82.202 ± 0.006°
• Cell volume: 2143.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2024
• Residual factor for significantly intense reflections: 0.1389
• Weighted residual factors for significantly intense reflections: 0.3076
• Weighted residual factors for all reflections included in the refinement: 0.3425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.805
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No