Information card for entry 2101842

Structure parameters

• Formula: C26 H32 N2 O4
• Calculated formula: C26 H32 N2 O4
• Title of publication: Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)
• Authors of publication: Ferguson, George
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 534 - 543
• a: 10.421 ± 0.002 Å
• b: 10.734 ± 0.002 Å
• c: 10.9756 ± 0.0013 Å
• α: 76.645 ± 0.012°
• β: 74.513 ± 0.011°
• γ: 89.305 ± 0.013°
• Cell volume: 1149.5 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.1592
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections: 0.1618
• Weighted residual factors for significantly intense reflections: 0.1378
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No