Information card for entry 4080049

Structure parameters

• Formula: C15 H19 N
• Calculated formula: C15 H19 N
• SMILES: n12CCCc3cccc(c13)c(c2CC)CC
• Title of publication: Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles
• Authors of publication: Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 937
• a: 7.8641 ± 0.0001 Å
• b: 9.08232 ± 0.0001 Å
• c: 16.97075 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.12 ± 0.02 ų
• Cell temperature: 115 ± 0.1 K
• Ambient diffraction temperature: 115 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No