Information card for entry 4112857

Structure parameters

• Formula: C17 H19 B P
• Calculated formula: C17 H19 B P
• SMILES: [P@@]1(c2ccccc2)([C@@H](Cc2ccccc2)CCC1)[BH3]
• Title of publication: Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis
• Authors of publication: Garrett Hoge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9920 - 9921
• a: 9.6803 ± 0.0017 Å
• b: 10.1882 ± 0.0018 Å
• c: 10.5467 ± 0.0018 Å
• α: 61.938 ± 0.003°
• β: 76.23 ± 0.003°
• γ: 63.747 ± 0.003°
• Cell volume: 822.6 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No