Information card for entry 7160764

Structure parameters

• Chemical name: 9-methoxy-1-methylbenzo[h]quinolin-1-ium tetrafluoroborate
• Formula: C15 H14 B F4 N O
• Calculated formula: C15 H14 B F4 N O
• Title of publication: Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.
• Authors of publication: Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 41
• Pages of publication: 9424 - 9429
• a: 6.752 ± 0.0008 Å
• b: 18.543 ± 0.002 Å
• c: 11.0244 ± 0.0013 Å
• α: 90°
• β: 91.642 ± 0.004°
• γ: 90°
• Cell volume: 1379.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1212
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No