Information card for entry 1555818

Structure parameters

• Formula: C29 H23 O2 P Se
• Calculated formula: C29 H23 O2 P Se
• SMILES: [Se]=P1(Oc2c(c3ccccc3cc2)c2c(O1)ccc1ccccc21)[C@H](Cc1ccccc1)C
• Title of publication: Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.
• Authors of publication: Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5264 - 5267
• a: 7.4297 ± 0.0009 Å
• b: 13.2923 ± 0.0017 Å
• c: 23.557 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2326.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No