Information card for entry 7210969

Structure parameters

• Formula: C13 H15 F N2 O2
• Calculated formula: C13 H15 F N2 O2
• SMILES: c1cccc2c1c(c1ccccc1[nH+]2)N.[F-].O.O
• Title of publication: Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides
• Authors of publication: Trzybiński, Damian; Sikorski, Artur
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 6808
• a: 16.712 ± 0.002 Å
• b: 10.3361 ± 0.001 Å
• c: 7.5219 ± 0.0008 Å
• α: 90°
• β: 110.794 ± 0.013°
• γ: 90°
• Cell volume: 1214.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No