Information card for entry 4028772

Structure parameters

• Formula: C31 H30 O3 P2
• Calculated formula: C31 H30 O3 P2
• Title of publication: Phosphonium-Iodonium Ylides with Heteroatomic Groups in the Synthesis of Annelated P-Containing Heterocycles
• Authors of publication: Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Dmitriy S. Vinogradov; Rolf Gleiter; Nikolay S. Zefirov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 11691 - 11697
• a: 9.17 ± 0.002 Å
• b: 12.496 ± 0.002 Å
• c: 23.338 ± 0.003 Å
• α: 90°
• β: 94.72 ± 0.01°
• γ: 90°
• Cell volume: 2665.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No