Information card for entry 4028239

Structure parameters

• Formula: C29 H33 B N O2 P
• Calculated formula: C29 H33 B N O2 P
• SMILES: [P@@](N(C)[C@H]([C@H](O)c1ccccc1)C)([BH3])(c1ccccc1)c1c(cccc1)c1c(OC)cccc1
• Title of publication: P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far
• Authors of publication: Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4665 - 4673
• a: 7.7674 ± 0.0003 Å
• b: 9.3961 ± 0.0004 Å
• c: 10.3181 ± 0.0004 Å
• α: 94.823 ± 0.004°
• β: 108.859 ± 0.004°
• γ: 110.954 ± 0.004°
• Cell volume: 648.29 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No