Information card for entry 7052705

Structure parameters

• Formula: C11 H9 O5 P S W
• Calculated formula: C11 H9 O5 P S W
• SMILES: [W]([P]1(S)C=C(C)C(=C1)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Intramolecular [4+2] versus [2+2] cycloadditions in P‒X‒P-linked biphospholes (X = O, S)
• Authors of publication: Duffy, Matthew P.; Lin, Yuhan; Ting, Liow Yu; Mathey, François
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2001
• a: 6.3749 ± 0.0002 Å
• b: 20.3759 ± 0.0006 Å
• c: 12.154 ± 0.0003 Å
• α: 90°
• β: 112.878 ± 0.001°
• γ: 90°
• Cell volume: 1454.54 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No