Information card for entry 7002932

Structure parameters

• Formula: C22 H40 O2 P2
• Calculated formula: C22 H40 O2 P2
• SMILES: [C@@H]1([C@H](C(C)(C)C)P(C1=O)P1C(=O)[C@@H]([C@H]1C(C)(C)C)C(C)(C)C)C(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: 24.14 ± 0.012 Å
• b: 8.856 ± 0.005 Å
• c: 11.564 ± 0.006 Å
• α: 90°
• β: 109.681 ± 0.008°
• γ: 90°
• Cell volume: 2328 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No