Information card for entry 7238125

Structure parameters

• Common name: Bis(4-hydroxy-2,6-dimethylphenyl)(4- aminophenyl)methane:Toluene solvate
• Formula: C30 H33 N O2
• Calculated formula: C20 H22 N0.666667 O1.33333
• Title of publication: Selectivity in guest‒host binding in assemblies of bisphenols
• Authors of publication: Sarma, Rupam J.; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 116
• Pages of publication: 706
• a: 11.482 ± 0.012 Å
• b: 11.739 ± 0.011 Å
• c: 12.465 ± 0.013 Å
• α: 62.491 ± 0.006°
• β: 63.027 ± 0.006°
• γ: 62.88 ± 0.006°
• Cell volume: 1262 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1293
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No