Information card for entry 1519132

Structure parameters

• Formula: C23 H18 I2 N O3 P W
• Calculated formula: C23 H18 I2 N O3 P W
• SMILES: [W](I)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)(C#[O])(C#[O])C#[O]
• Title of publication: C23H18I2NO3PW
• Authors of publication: Baker, Paul K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1993
• Pages of publication: 1190
• a: 11.456 ± 0.007 Å
• b: 10.938 ± 0.002 Å
• c: 20.2783 ± 0.0016 Å
• α: 90°
• β: 104.5 ± 0.02°
• γ: 90°
• Cell volume: 2460.1 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.735
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No