Information card for entry 7101702

Structure parameters

• Common name: ((1-(2-Benzyloxy-phenyl)-2-nitro-ethyl)-diphenyl-phosphine)- borane complex
• Formula: C27 H27 B N O3 P
• Calculated formula: C27 H27 B N O3 P
• SMILES: [P]([BH3])([C@@H](c1c(OCc2ccccc2)cccc1)CN(=O)=O)(c1ccccc1)c1ccccc1
• Title of publication: Organocatalytic asymmetric hydrophosphination of nitroalkenes.
• Authors of publication: Bartoli, Giuseppe; Bosco, Marcella; Carlone, Armando; Locatelli, Manuela; Mazzanti, Andrea; Sambri, Letizia; Melchiorre, Paolo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 722 - 724
• a: 9.7738 ± 0.0012 Å
• b: 13.1358 ± 0.0016 Å
• c: 9.8656 ± 0.0012 Å
• α: 90°
• β: 109.146 ± 0.002°
• γ: 90°
• Cell volume: 1196.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No