Information card for entry 4074366

Structure parameters

• Formula: C24 H36 B N8 O5 P W
• Calculated formula: C24 H36 B N8 O5 P W
• SMILES: [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1=[CH]3[C@]2(N[C@@]1([C@H]([C@@H]2C(=O)OC)C(=O)OC)C)C.[W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1=[CH]3[C@@]2(N[C@]1([C@@H]([C@H]2C(=O)OC)C(=O)OC)C)C
• Title of publication: Osmium(II)-, Rhenium(I)-, and Tungsten(0)-Promoted Dipolar Cycloaddition Reactions with Pyrroles: Exploiting the Azomethine Ylide Character of This Heterocycle
• Authors of publication: Welch, Kevin D.; Smith, Philip L.; Keller, Andrew P.; Myers, William H.; Sabat, Michal; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5067
• a: 8.269 ± 0.001 Å
• b: 16.138 ± 0.001 Å
• c: 21.988 ± 0.001 Å
• α: 90°
• β: 95.745 ± 0.001°
• γ: 90°
• Cell volume: 2919.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No