Information card for entry 4502180

Structure parameters

• Formula: C18 H20 N4 O
• Calculated formula: C18 H20 N4 O
• Title of publication: A Three-Dimensional Channel Supramolecular Architecture Based on 3-Amino-2-(4-dimethylaminophenyldiazenyl)-1-phenylbut-2-en-1-one and Aromatic Guests†
• Authors of publication: Macháček, Vladimír; Bertolasi, Valerio; Šimůnek, Petr; Svobodová, Markéta; Svoboda, Jan; C̆ernošková, Eva
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 85
• a: 9.9279 ± 0.0002 Å
• b: 10.8905 ± 0.0002 Å
• c: 16.0206 ± 0.0004 Å
• α: 90°
• β: 90.982 ± 0.0008°
• γ: 90°
• Cell volume: 1731.89 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0707
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No