Information card for entry 4507077

Structure parameters

• Formula: C28 H35 N O3
• Calculated formula: C28 H35 N O3
• SMILES: c1(ccc(cc1)N(C)C)C(c1cc(c(c(c1)C)O)C)c1cc(C)c(c(C)c1)O.C(=O)(C)C
• 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: 12.154 ± 0.0007 Å
• b: 11.8231 ± 0.0008 Å
• c: 17.9886 ± 0.0012 Å
• α: 90°
• β: 101.881 ± 0.003°
• γ: 90°
• Cell volume: 2529.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No