Information card for entry 4063244

Structure parameters

• Formula: C22 H32 B Cl2 N8 O2 P W
• Calculated formula: C22 H32 B Cl2 N8 O2 P W
• SMILES: [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@]2(O[C@@]([CH]3=1)([C@@H](C2)C#N)C)C.ClCCl
• Title of publication: Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment
• Authors of publication: Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 435 - 439
• a: 11.4958 ± 0.0007 Å
• b: 13.848 ± 0.0008 Å
• c: 17.6576 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No