Information card for entry 7157044

Structure parameters

• Chemical name: 2,4,9,11-Tetraphenylquinazolino[7,8-h]quinazolinium perchlorate
• Formula: C38 H25 Cl N4 O4
• Calculated formula: C38 H25 Cl N4 O4
• Title of publication: Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.
• Authors of publication: Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 8221 - 8233
• a: 7.50014 ± 0.00011 Å
• b: 16.7058 ± 0.0002 Å
• c: 22.9329 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2873.4 ± 0.07 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No