Information card for entry 1540625

Structure parameters

• Formula: C32 H21 O5 P W
• Calculated formula: C32 H21 O5 P W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]1(c2ccccc2C(=C1c1ccc(cc1)C)c1ccccc1)c1ccccc1
• Title of publication: Intramolecular, Pd/Cu-Co-catalyzed P-C Bond Cleavage and Addition onto an Alkyne: A Route to Benzophospholes.
• Authors of publication: Zhou, Yang; Gan, Zhenjie; Su, Bo; Li, Jun; Duan, Zheng; Mathey, François
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5722 - 5724
• a: 11.521 ± 0.0004 Å
• b: 11.9824 ± 0.0004 Å
• c: 20.383 ± 0.0006 Å
• α: 90°
• β: 98.02 ± 0.003°
• γ: 90°
• Cell volume: 2786.34 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No