Information card for entry 7061958

Structure parameters

• Common name: 1,1'-(2-Methylnaphthalene-1,8-diyl)dipyrrolidine hydrogen tetrafluoroborate
• Formula: C19 H25 B F4 N2
• Calculated formula: C19 H25 B F4 N2
• Title of publication: Dialkylamino and trialkylammonium groups in close proximity: intra- and intermolecular ways of formation, structural consequences, and properties. A case of metal-free directed ortho alkylation
• Authors of publication: Kolupaeva, Ekaterina V.; Ozeryanskii, Valery A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 17140 - 17144
• a: 9.7812 ± 0.0001 Å
• b: 10.3437 ± 0.0001 Å
• c: 17.7597 ± 0.0002 Å
• α: 90°
• β: 95.106 ± 0.001°
• γ: 90°
• Cell volume: 1789.69 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No