Information card for entry 4070177

Structure parameters

• Formula: C22 H32 B N8 O4 P W
• Calculated formula: C22 H32 B N8 O4 P W
• SMILES: [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C=CN(C([CH]3=1)CC(=O)OC)C(=O)C
• Title of publication: Stereo- and Regioselective Nucleophilic Addition to Dihapto-Coordinated Pyridine Complexes
• Authors of publication: Harrison, Daniel P.; Zottig, Victor E.; Kosturko, George W.; Welch, Kevin D.; Sabat, Michal; Myers, William H.; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5682
• a: 10.689 ± 0.002 Å
• b: 14.697 ± 0.003 Å
• c: 17.401 ± 0.004 Å
• α: 90°
• β: 95.453 ± 0.004°
• γ: 90°
• Cell volume: 2721.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No