Information card for entry 1555820

Structure parameters

• Formula: C36 H27 O4 P Se
• Calculated formula: C36 H29 O3 P Se
• SMILES: [Se]=P1(Oc2c(c3ccccc3cc2)c2c(O1)ccc1ccccc21)[C@H](Cc1ccccc1)Cc1ccc(OC)cc1
• 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: 11.8545 ± 0.0012 Å
• b: 15.6874 ± 0.0016 Å
• c: 16.0313 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2981.3 ± 0.5 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: 0.0528
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No