Information card for entry 4025530

Structure parameters

• Formula: C29 H36 N4 O
• Calculated formula: C29 H36 N4 O
• SMILES: c1(N(C)C)c(ccc2cccc(N(C)C)c12)C(O)c1c(N(C)C)c2c(cc1)cccc2N(C)C
• Title of publication: 1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching
• Authors of publication: Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4706 - 4715
• a: 9.9285 ± 0.0017 Å
• b: 10.4828 ± 0.0017 Å
• c: 13.09 ± 0.002 Å
• α: 93.652 ± 0.003°
• β: 110.835 ± 0.003°
• γ: 94.013 ± 0.004°
• Cell volume: 1264.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No