Information card for entry 4025531

Structure parameters

• Formula: C29 H36 N4 O
• Calculated formula: C29 H36 N4 O
• 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: 10.1061 ± 0.0013 Å
• b: 10.5773 ± 0.0013 Å
• c: 13.1305 ± 0.0015 Å
• α: 94.175 ± 0.003°
• β: 110.183 ± 0.003°
• γ: 93.582 ± 0.003°
• Cell volume: 1308.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1401
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No