Information card for entry 7002931

Structure parameters

• Formula: C28 H56 O2 P2 Si2
• Calculated formula: C28 H56 O2 P2 Si2
• SMILES: P1(P2C(=C([C@H]2C(C)(C)C)C(C)(C)C)O[Si](C)(C)C)C(=C([C@H]1C(C)(C)C)C(C)(C)C)O[Si](C)(C)C.P1(P2C(=C([C@@H]2C(C)(C)C)C(C)(C)C)O[Si](C)(C)C)C(=C([C@@H]1C(C)(C)C)C(C)(C)C)O[Si](C)(C)C
• Title of publication: A rearrangement of 1,1-linked four-membered rings to bicyclic bridgehead five-membered rings: A phosphorus turn
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10574 - 10580
• a: 17.239 ± 0.009 Å
• b: 9.498 ± 0.005 Å
• c: 21.389 ± 0.011 Å
• α: 90°
• β: 99.493 ± 0.008°
• γ: 90°
• Cell volume: 3454 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1407
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No