Information card for entry 4022857

Structure parameters

• Formula: C22 H26 N2 O
• Calculated formula: C22 H26 N2 O
• SMILES: O[C@](c1c(N(C)C)c2c(cc1)cccc2N(C)C)(c1ccccc1)C
• Title of publication: 2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of "Proton Sponges" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion
• Authors of publication: Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3006 - 3019
• a: 10.5415 ± 0.0007 Å
• b: 12.4658 ± 0.0008 Å
• c: 13.8618 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1821.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No