Information card for entry 8101972

Structure parameters

• Chemical name: 4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate
• Formula: C19.5 H26 N2 O1.5
• Calculated formula: C19.5 H26 N2 O1.5
• SMILES: Oc1ccc(/N=N/c2ccc(cc2)CCCCCC)cc1.OC(C)C
• Title of publication: Crystal structure of 4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate, C~18~H~22~N~2~O · ½C~3~H~8~O
• Authors of publication: Nasiri, H. R.; Bolte, M.; Lorch, M.; Schwalbe, H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 219 - 220
• a: 6.1744 ± 0.0008 Å
• b: 14.9146 ± 0.0019 Å
• c: 19.453 ± 0.003 Å
• α: 87.552 ± 0.011°
• β: 84.371 ± 0.011°
• γ: 88.936 ± 0.011°
• Cell volume: 1781 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No