Information card for entry 7159265

Structure parameters

• Formula: C34 H30 N2
• Calculated formula: C34 H30 N2
• SMILES: N(c1ccc(c2c(c3cc4c(cc3)cccc4)ccc(N(C)C)c12)c1cc2c(cc1)cccc2)(C)C
• Title of publication: Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.
• Authors of publication: Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3388 - 3401
• a: 7.856 ± 0.0001 Å
• b: 18.388 ± 0.0002 Å
• c: 8.8363 ± 0.0001 Å
• α: 90°
• β: 98.51 ± 0.001°
• γ: 90°
• Cell volume: 1262.4 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No