Information card for entry 4089516

Structure parameters

• Formula: C28 H38 N4 Zn
• Calculated formula: C28 H38 N4 Zn
• SMILES: [Zn]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)[C@H](C1[C@@H]2C=CC=1)C1=CC[C@H]2C[C@@H]1C2(C)C)CC
• Title of publication: Efficient Synthesis of an Unprecedented Enantiopure Hybrid Scorpionate/Cyclopentadienyl by Diastereoselective Nucleophilic Addition to a Fulvene
• Authors of publication: Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Lara-Sánchez, Agust\?ín; Tejeda, Juan; Carrión, Mar\?ía P.; Mart\?ínez-Ferrer, Jaime; Garcés, Andrés; Rodr\?íguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3437
• a: 9.892 ± 0.003 Å
• b: 15.484 ± 0.005 Å
• c: 17.079 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2616 ± 1.5 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No