Information card for entry 7020308

Structure parameters

• Chemical name: 1,2,3,4-tetrahydroacridine
• Formula: C13 H13 N
• Calculated formula: C13 H13 N
• SMILES: n1c2CCCCc2cc2ccccc12
• Title of publication: Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex
• Authors of publication: Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 46
• Pages of publication: 14117 - 14125
• a: 8.583 ± 0.0003 Å
• b: 6.422 ± 0.0003 Å
• c: 9.2358 ± 0.0004 Å
• α: 90°
• β: 102.46 ± 0.003°
• γ: 90°
• Cell volume: 497.09 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No