Information card for entry 7153677

Structure parameters

• Formula: C29 H33 N3 O
• Calculated formula: C29 H33 N3 O
• SMILES: OC(c1c(N(C)C)c2c(cc1)cccc2N(C)C)(c1c(N(C)C)cccc1)c1ccccc1
• Title of publication: Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.
• Authors of publication: Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 2360 - 2369
• a: 13.8234 ± 0.0014 Å
• b: 14.4667 ± 0.0014 Å
• c: 24.486 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4896.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No