Information card for entry 7020310

Structure parameters

• Formula: C15 H16
• Calculated formula: C15 H16
• SMILES: C1CCCc2c1c(c1ccccc1c2)C
• 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: 6.9319 ± 0.0011 Å
• b: 11.2138 ± 0.0016 Å
• c: 13.945 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1084 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 2
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1257
• 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