Information card for entry 4507084

Structure parameters

• Formula: C56 H70 N4 O7
• Calculated formula: C56 H70 N4 O7
• SMILES: C(c1cc(c(c(c1)C)O)C)(c1cc(c(c(c1)C)O)C)c1ccc(cc1)N(C)C.c1(cc(c(c(c1)C)O)C)C(c1cc(c(c(c1)C)O)C)c1ccc(cc1)N(C)C.C1CN2CCN1CC2.O.O.O
• Title of publication: Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
• Authors of publication: Nath, Bhaskar; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6173
• a: 12.988 ± 0.002 Å
• b: 14.491 ± 0.002 Å
• c: 15.156 ± 0.003 Å
• α: 88.529 ± 0.014°
• β: 70.482 ± 0.011°
• γ: 88.285 ± 0.011°
• Cell volume: 2687 ± 0.8 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: 0.1958
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No