Information card for entry 4085158

Structure parameters

• Formula: C36 H64 Cr N2 Si2
• Calculated formula: C36 H64 Cr N2 Si2
• SMILES: N([Si](C1[CH]2=[CH]3[C]45=[CH](C[C@H]6C[C@@H]4C6(C)C)[Cr]46781235C([CH]4=[CH]6[C]17=[CH]8C[C@H]2C[C@@H]1C2(C)C)[Si](N(CC)CC)(C)C)(C)C)(CC)CC
• Title of publication: Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal
• Authors of publication: Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 146
• a: 19.0012 ± 0.0012 Å
• b: 10.2756 ± 0.0005 Å
• c: 10.8293 ± 0.0008 Å
• α: 90°
• β: 119.646 ± 0.009°
• γ: 90°
• Cell volume: 1837.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No