Information card for entry 4082029

Structure parameters

• Formula: C26 H32 N2 Zn
• Calculated formula: C26 H32 N2 Zn
• SMILES: [Zn]1([N](=c2ccc3cccc4ccc(N1C1CCCCC1)c2c34)C1CCCCC1)C
• Title of publication: Organozinc Catalyst on a Phenalenyl Scaffold for Intramolecular Hydroamination of Aminoalkenes
• Authors of publication: Mukherjee, Arup; Sen, Tamal K.; Ghorai, Pradip Kr.; Mandal, Swadhin K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7213
• a: 21.5916 ± 0.0006 Å
• b: 12.3044 ± 0.0004 Å
• c: 16.4599 ± 0.0004 Å
• α: 90°
• β: 105.688 ± 0.002°
• γ: 90°
• Cell volume: 4210 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No