Information card for entry 4087321

Structure parameters

• Formula: C47 H70 N2 O
• Calculated formula: C47 H70 N2 O
• SMILES: C(=C1\N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C)(\Oc1c(cccc1C(C)C)C(C)C)C1=NC(CC21CCCCC2)(C)C
• Title of publication: Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes
• Authors of publication: Paul, Ursula S. D.; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1398
• a: 10.1998 ± 0.0009 Å
• b: 20.166 ± 0.0017 Å
• c: 20.2899 ± 0.0018 Å
• α: 80.047 ± 0.004°
• β: 77.268 ± 0.004°
• γ: 82.493 ± 0.004°
• Cell volume: 3990.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1731
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No