Information card for entry 1508341

Structure parameters

• Formula: C22 H27 N7 O7
• Calculated formula: C22 H27 N7 O7
• SMILES: [NH+](c1ccc(c2nc(N(C)C)cc(N(C)C)c12)C)(C)C.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: 4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior.
• Authors of publication: Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4134 - 4137
• a: 20.6019 ± 0.0014 Å
• b: 7.0886 ± 0.0005 Å
• c: 32.075 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4684.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No