Information card for entry 7159262

Structure parameters

• Formula: C34 H31 B F4 N2
• Calculated formula: C34 H31 B0.9999 F3.9996 N2
• 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: 22.6368 ± 0.0005 Å
• b: 7.9095 ± 0.0001 Å
• c: 15.4739 ± 0.0003 Å
• α: 90°
• β: 98.224 ± 0.002°
• γ: 90°
• Cell volume: 2742.05 ± 0.09 ų
• Cell temperature: 100.02 ± 0.13 K
• Ambient diffraction temperature: 100.02 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.3147
• Weighted residual factors for all reflections included in the refinement: 0.3205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No