Information card for entry 7158095

Structure parameters

• Formula: C21 H24 N3 P
• Calculated formula: C21 H24 N3 P
• SMILES: P(Cc1nc(C)ccc1)(Cc1nc(C)ccc1)Cc1nc(C)ccc1
• Title of publication: An air-stable, Zn²⁺-based catalyst for hydrosilylation of alkenes and alkynes.
• Authors of publication: Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5544 - 5550
• a: 9.4903 ± 0.0018 Å
• b: 9.865 ± 0.002 Å
• c: 11.331 ± 0.002 Å
• α: 80.779 ± 0.006°
• β: 71.403 ± 0.007°
• γ: 68.288 ± 0.005°
• Cell volume: 933 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No