Information card for entry 7238123

Structure parameters

• Common name: Bis(4-hydroxy-3,5-dimethylphenyl)(4-nitrophenyl)methane with benzene
• Formula: C28 H28 N O4
• Calculated formula: C29 H29 N O4
• 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: 12.11 ± 0.004 Å
• b: 9.815 ± 0.003 Å
• c: 21.26 ± 0.006 Å
• α: 90°
• β: 97.277 ± 0.002°
• γ: 90°
• Cell volume: 2506.6 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No