Information card for entry 1504870

Structure parameters

• Formula: C17 H16 B P
• Calculated formula: C17 H16 B P
• SMILES: [P@]1([BH3])(Cc2cccc3cccc1c23)c1ccccc1
• Title of publication: Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.
• Authors of publication: Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4425 - 4428
• a: 9.9633 ± 0.001 Å
• b: 12.6914 ± 0.0012 Å
• c: 23.225 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2936.8 ± 0.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No