Information card for entry 4507081

Structure parameters

• Formula: C34 H45 N3 O2
• Calculated formula: C34 H45 N3 O2
• SMILES: c1(c(c(cc(C(c2cc(c(c(c2)C)O)C)c2ccc(cc2)N(C)C)c1)C)O)C.C12=NCCCN2CCCCC1
• 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: 8.6308 ± 0.0009 Å
• b: 11.699 ± 0.0012 Å
• c: 15.9227 ± 0.0017 Å
• α: 107.295 ± 0.006°
• β: 105.133 ± 0.006°
• γ: 92.092 ± 0.006°
• Cell volume: 1470.4 ± 0.3 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: 0.137
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No