Information card for entry 4513452

Structure parameters

• Formula: C52 H42 N12 O2
• Calculated formula: C46 H28 N10
• 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: 16.324 ± 0.003 Å
• b: 6.872 ± 0.0013 Å
• c: 21.928 ± 0.004 Å
• α: 90°
• β: 101.657 ± 0.003°
• γ: 90°
• Cell volume: 2409.1 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No