Information card for entry 7157043

Structure parameters

• Formula: C18 H13 Br N2
• Calculated formula: C18 H13 Br N2
• 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 ± 0.0003 Å
• b: 10.6452 ± 0.0005 Å
• c: 18.2521 ± 0.0008 Å
• α: 90°
• β: 98.614 ± 0.001°
• γ: 90°
• Cell volume: 1344.74 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No