Information card for entry 4107179

Structure parameters

• Formula: C45 H30 Cl2 O8 P2
• Calculated formula: C45 H30 Cl2 O8 P2
• SMILES: P1(=O)(O)Oc2c(c3c(O1)c(c1c(c3)cccc1)c1c3OP(=O)(O)Oc4c(c3cc3ccccc13)cccc4c1ccccc1)cccc2c1ccccc1.C(Cl)Cl
• Title of publication: Design of Chiral Bis-phosphoric Acid Catalyst Derived from (R)-3,3'-Di(2-hydroxy-3-arylphenyl)binaphthol: Catalytic Enantioselective Diels-Alder Reaction of α,β-Unsaturated Aldehydes with Amidodienes
• Authors of publication: Norie Momiyama; Tohru Konno; Yuichi Furiya; Takeaki Iwamoto; Masahiro Terada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19294 - 19297
• a: 8.735 ± 0.004 Å
• b: 15.966 ± 0.008 Å
• c: 13.967 ± 0.007 Å
• α: 90°
• β: 99.947 ± 0.006°
• γ: 90°
• Cell volume: 1918.6 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No