Information card for entry 7250802

Structure parameters

• Common name: 2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate
• Formula: C16 H22 B D F4 N2
• Calculated formula: C16 H22 B D F4 N2
• Title of publication: Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium
• Authors of publication: Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 37
• Pages of publication: 6163 - 6173
• a: 7.1533 ± 0.0001 Å
• b: 13.3033 ± 0.0002 Å
• c: 17.4216 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657.88 ± 0.04 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No