Information card for entry 4507078

Structure parameters

• Formula: C29 H38 N2 O3
• Calculated formula: C29 H38 N2 O3
• SMILES: c1c(C(c2cc(c(c(c2)C)O)C)c2ccc(cc2)N(C)C)cc(c(c1C)O)C.C1COCCN1
• 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: 12.3499 ± 0.0011 Å
• b: 12.7854 ± 0.0012 Å
• c: 17.0726 ± 0.0015 Å
• α: 90°
• β: 101.913 ± 0.005°
• γ: 90°
• Cell volume: 2637.7 ± 0.4 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: 0.0859
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No