Information card for entry 4502183

Structure parameters

• Formula: C21 H22.5 Cl0.5 N4 O
• Calculated formula: C21 H22.5 Cl0.5 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: 25.6689 ± 0.0004 Å
• b: 10.7565 ± 0.0002 Å
• c: 15.6384 ± 0.0003 Å
• α: 90°
• β: 117.632 ± 0.001°
• γ: 90°
• Cell volume: 3825.4 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No