Information card for entry 4103028

Structure parameters

• Formula: C84 H57 Cl9 N4 O5 P2
• Calculated formula: C84 H57 Cl9 N4 O5 P2
• SMILES: c12ccc3ccccc3c1c1c(ccc3ccccc13)N=P1(Nc3ccc4ccccc4c3c3c(ccc4ccccc34)O1)O2.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.CO
• Title of publication: Catalytic Asymmetric Protonation of α-Amino Acid-Derived Ketene Disilyl Acetals Using P-Spiro Diaminodioxaphosphonium Barfates as Chiral Proton
• Authors of publication: Daisuke Uraguchi; Natsuko Kinoshita; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12240 - 12242
• a: 15.478 ± 0.003 Å
• b: 14.753 ± 0.003 Å
• c: 16.184 ± 0.003 Å
• α: 90°
• β: 95.025 ± 0.004°
• γ: 90°
• Cell volume: 3681.4 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No