Information card for entry 4513451

Structure parameters

• Formula: C40 H20 N10
• Calculated formula: C40 H20 N10
• SMILES: c1(ccncc1)c1nc(c(c(c1C#N)c1ccc(c2c(c(c3ccncc3)nc(c3ccncc3)c2C#N)C#N)cc1)C#N)c1ccncc1
• Title of publication: Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.
• Authors of publication: Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin
• Journal of publication: Crystal growth & design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4219 - 4224
• a: 34.345 ± 0.003 Å
• b: 9.2471 ± 0.0014 Å
• c: 10.6446 ± 0.001 Å
• α: 90°
• β: 104.008 ± 0.01°
• γ: 90°
• Cell volume: 3280.1 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 3
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No