Information card for entry 7111045

Structure parameters

• Formula: C32 H40 O10 P2
• Calculated formula: C32 H40 O10 P2
• SMILES: C(P(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1.O(O)C(OO)(C)C.O(O)C(OO)(C)C
• Title of publication: Unexpected synthesis of (bis(diphenylphosphinoyl)ethane)·2(2,2-dihydroperoxypropane) 1∶2 adduct: a new route to stable organic dihydroperoxides
• Authors of publication: Pettinari, Claudio; Marchetti, Fabio; Cingolani, Augusto; Drozdov, Andrei; Troyanov, Sergei
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 1901
• a: 15.447 ± 0.003 Å
• b: 10.989 ± 0.002 Å
• c: 19.907 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3379.2 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0821
• Goodness-of-fit parameter for all reflections: 0.934
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No