Information card for entry 1513255

Structure parameters

• Formula: C20 H8 N6
• Calculated formula: C20 H8 N6
• SMILES: c12ccccc1c1ccccc1c1nc3nc(c(nc3nc21)C#N)C#N
• Title of publication: Diverse Self-Assembly in Soluble Oligoazaacenes: A Microscopy Study†
• Authors of publication: Richards, Gary J.; Hill, Jonathan P.; Okamoto, Ken; Shundo, Atsuomi; Akada, Misaho; Elsegood, Mark R. J.; Mori, Toshiyuki; Ariga, Katsuhiko
• Journal of publication: Langmuir
• Year of publication: 2009
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 8408 - 8413
• a: 9.3164 ± 0.0017 Å
• b: 7.0649 ± 0.0013 Å
• c: 23.684 ± 0.004 Å
• α: 90°
• β: 99.945 ± 0.003°
• γ: 90°
• Cell volume: 1535.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No