Information card for entry 7109869

Structure parameters

• Formula: C25 H21 O3 P Se
• Calculated formula: C25 H21 O3 P Se
• SMILES: [Se]=P1(Oc2c(c3ccccc3cc2)c2c(O1)ccc1ccccc21)[C@H]1COCCC1
• Title of publication: Anti-Markovnikov hydrophosphoroselenoylation of alkenes using phosphorodiselenoic acid esters leading to the formation of phosphonoselenoic acid esters
• Authors of publication: Toshiaki Murai; Yuuki Maekawa; Masaki Monzaki; Takafumi Ando; Toshifumi Maruyama
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9675
• a: 17.479 ± 0.008 Å
• b: 10.231 ± 0.005 Å
• c: 12.459 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2228 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No