Information card for entry 4510586

Structure parameters

• Formula: C13 H11 N
• Calculated formula: C13 H11 N
• SMILES: c12ccccc2Nc2c(C1)cccc2
• Title of publication: Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine
• Authors of publication: Kupka, A.; Schauerte, C.; Merz, K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2985
• a: 7.897 ± 0.004 Å
• b: 5.861 ± 0.002 Å
• c: 10.737 ± 0.005 Å
• α: 90°
• β: 108.062 ± 0.019°
• γ: 90°
• Cell volume: 472.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No