Information card for entry 7111076

Structure parameters

• Formula: C29 H37 B N3 O3 P
• Calculated formula: C29 H37 B N3 O3 P
• SMILES: [P@@]12(OC[C@@H](N(CCN2[C@@H](Cc2ccccc2)CO1)C(=O)N[C@H](C)c1ccccc1)Cc1ccccc1)[BH3]
• Title of publication: First totally diastereoselective opening of chiral triquinphosphoranes. A new access to enantiopure oxazaphospholidines
• Authors of publication: Marchi, Caroline; Delapierre, Guillaume; Fotiadu, Frédéric; Buono, Gérard
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2227
• a: 13.0505 ± 0.0005 Å
• b: 13.0505 ± 0.0005 Å
• c: 29.9705 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4420.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No